View | Details | Raw Unified | Return to bug 177935 | Differences between
and this patch

Collapse All | Expand All

(-)science/avogadro/Makefile (-10 / +19 lines)
Lines 2-30 Link Here
2
# $FreeBSD: head/science/avogadro/Makefile 315830 2013-04-16 16:00:08Z rene $
2
# $FreeBSD: head/science/avogadro/Makefile 315830 2013-04-16 16:00:08Z rene $
3
3
4
PORTNAME=	avogadro
4
PORTNAME=	avogadro
5
PORTVERSION=	1.0.3
5
PORTVERSION=	1.1.0
6
PORTREVISION=	2
7
CATEGORIES=	science
6
CATEGORIES=	science
8
MASTER_SITES=	SF
7
MASTER_SITES=	SF
9
8
10
MAINTAINER=	ports@FreeBSD.org
9
MAINTAINER=	ports@FreeBSD.org
11
COMMENT=	Advanced molecular editor and viewer
10
COMMENT=	Advanced molecular editor and viewer
12
11
12
LICENSE=	GPLv2 # (or later)
13
13
BUILD_DEPENDS=	${LOCALBASE}/libdata/pkgconfig/eigen2.pc:${PORTSDIR}/math/eigen2
14
BUILD_DEPENDS=	${LOCALBASE}/libdata/pkgconfig/eigen2.pc:${PORTSDIR}/math/eigen2
14
LIB_DEPENDS=	openbabel:${PORTSDIR}/science/openbabel
15
LIB_DEPENDS=	openbabel:${PORTSDIR}/science/openbabel
15
16
16
USE_LDCONFIG=	yes
17
OPTIONS_DEFINE=	PYTHON
18
OPTIONS_DEFAULT=PYTHON
19
17
USE_BZIP2=	yes
20
USE_BZIP2=	yes
18
USE_GL=		glu
19
USE_QT4=	gui opengl network linguist_build \
20
		qmake_build moc_build rcc_build uic_build
21
USES=		cmake
21
USES=		cmake
22
USE_GL=		glu
23
USE_QT4=	gui network opengl \
24
		linguist_build moc_build qmake_build rcc_build uic_build
25
USE_PKGCONFIG=	build
22
CMAKE_ARGS=	-DENABLE_GLSL=OFF \
26
CMAKE_ARGS=	-DENABLE_GLSL=OFF \
23
		-DQT_MKSPECS_RELATIVE=share/qt4/mkspecs
27
		-DQT_MKSPECS_RELATIVE=share/qt4/mkspecs
24
USE_GCC=	4.4+
28
USE_LDCONFIG=	yes
25
MAKE_JOBS_SAFE=	yes
29
MAKE_JOBS_SAFE=	yes
26
30
27
OPTIONS_DEFINE=	PYTHON
31
CFLAGS+=	-idirafter ${LOCALBASE}/include
32
LDFLAGS+=	-L${LOCALBASE}/lib
28
33
29
MAN1=		avogadro.1 avopkg.1
34
MAN1=		avogadro.1 avopkg.1
30
35
Lines 35-43 Link Here
35
USE_PYTHON=	-2.7
40
USE_PYTHON=	-2.7
36
BUILD_DEPENDS+=	${PYNUMPY} \
41
BUILD_DEPENDS+=	${PYNUMPY} \
37
		${PYTHON_PKGNAMEPREFIX}sip>0:${PORTSDIR}/devel/py-sip
42
		${PYTHON_PKGNAMEPREFIX}sip>0:${PORTSDIR}/devel/py-sip
43
LIB_DEPENDS+=	boost_python:${PORTSDIR}/devel/boost-python-libs
38
RUN_DEPENDS+=	${PYNUMPY} \
44
RUN_DEPENDS+=	${PYNUMPY} \
39
		${PYTHON_PKGNAMEPREFIX}sip>0:${PORTSDIR}/devel/py-sip
45
		${PYTHON_PKGNAMEPREFIX}sip>0:${PORTSDIR}/devel/py-sip
40
LIB_DEPENDS+=	boost_python:${PORTSDIR}/devel/boost-python-libs
41
PLIST_SUB+=	PYTHON=""
46
PLIST_SUB+=	PYTHON=""
42
.else
47
.else
43
CMAKE_ARGS+=	-DENABLE_PYTHON=OFF
48
CMAKE_ARGS+=	-DENABLE_PYTHON=OFF
Lines 45-50 Link Here
45
.endif
50
.endif
46
51
47
post-patch:
52
post-patch:
48
	@${REINPLACE_CMD} 's|share/man|man|' ${WRKSRC}/doc/CMakeLists.txt
53
	@${REINPLACE_CMD} -e \
54
		'/FLAGS_RELEASE/s|^|#| ; \
55
		 /PC_FILES/s|$${LIB_INSTALL_DIR}|libdata|' ${WRKSRC}/CMakeLists.txt
56
	@${REINPLACE_CMD} -e \
57
		's|share/man|man|' ${WRKSRC}/doc/CMakeLists.txt
49
58
50
.include <bsd.port.mk>
59
.include <bsd.port.mk>
(-)science/avogadro/distinfo (-2 / +2 lines)
Lines 1-2 Link Here
1
SHA256 (avogadro-1.0.3.tar.bz2) = efb6fda223da3c027436f0c218a47ce804f7469c58b41134230e9ebad1c98468
1
SHA256 (avogadro-1.1.0.tar.bz2) = 6b4eaf57ae52bf43df9b103c77e6abae71e067053d5c99f82acbce9855ecceb0
2
SIZE (avogadro-1.0.3.tar.bz2) = 4971989
2
SIZE (avogadro-1.1.0.tar.bz2) = 10741835
(-)science/avogadro/files/patch-libavogadro__CMakeLists.txt (-12 lines)
Lines 1-12 Link Here
1
--- libavogadro/CMakeLists.txt.orig	2012-11-26 21:38:12.000000000 +0100
2
+++ libavogadro/CMakeLists.txt	2012-11-26 21:39:47.000000000 +0100
3
@@ -18,7 +18,8 @@
4
   # Assume all MOC stuff is in the headers, replace .cpp and use qt4_wrap_cpp
5
   # We should probably scan the header to verify the Q_OBJECT macro is used
6
   string(REPLACE ".cpp" ".h" hdr_list "${src_list}")
7
-  qt4_wrap_cpp(moc_files ${hdr_list})
8
+  qt4_wrap_cpp(moc_files ${hdr_list} OPTIONS
9
+      -DBOOST_TT_HAS_OPERATOR_HPP_INCLUDED)
10
   # Now sort out the ui and qrc files, process them as appropriate
11
   set(ui_plugin_files)
12
   set(qrc_plugin_files)
(-)science/avogadro/pkg-plist (-125 / +835 lines)
Lines 8-13 Link Here
8
include/avogadro/color3f.h
8
include/avogadro/color3f.h
9
include/avogadro/colorbutton.h
9
include/avogadro/colorbutton.h
10
include/avogadro/cube.h
10
include/avogadro/cube.h
11
include/avogadro/dockextension.h
12
include/avogadro/dockwidget.h
11
include/avogadro/elementtranslator.h
13
include/avogadro/elementtranslator.h
12
include/avogadro/engine.h
14
include/avogadro/engine.h
13
include/avogadro/extension.h
15
include/avogadro/extension.h
Lines 22-27 Link Here
22
include/avogadro/moleculefile.h
24
include/avogadro/moleculefile.h
23
include/avogadro/navigate.h
25
include/avogadro/navigate.h
24
include/avogadro/neighborlist.h
26
include/avogadro/neighborlist.h
27
include/avogadro/obeigenconv.h
25
include/avogadro/painter.h
28
include/avogadro/painter.h
26
include/avogadro/painterdevice.h
29
include/avogadro/painterdevice.h
27
include/avogadro/periodictableview.h
30
include/avogadro/periodictableview.h
Lines 38-107 Link Here
38
%%PYTHON%%include/avogadro/pythoninterpreter.h
41
%%PYTHON%%include/avogadro/pythoninterpreter.h
39
%%PYTHON%%include/avogadro/pythonscript.h
42
%%PYTHON%%include/avogadro/pythonscript.h
40
include/avogadro/residue.h
43
include/avogadro/residue.h
44
include/avogadro/textmatrixeditor.h
41
include/avogadro/tool.h
45
include/avogadro/tool.h
42
include/avogadro/toolgroup.h
46
include/avogadro/toolgroup.h
43
include/avogadro/undosequence.h
47
include/avogadro/undosequence.h
44
include/avogadro/zmatrix.h
48
include/avogadro/zmatrix.h
45
lib/avogadro/1_0/AvogadroBuildSettings.cmake
49
lib/avogadro/1_1/AvogadroUse.cmake
46
lib/avogadro/1_0/AvogadroLibraryDeps.cmake
50
lib/avogadro/1_1/cmake/FindEigen2.cmake
47
lib/avogadro/1_0/AvogadroUse.cmake
51
lib/avogadro/1_1/cmake/FindGLEW.cmake
48
lib/avogadro/1_0/cmake/FindEigen2.cmake
52
lib/avogadro/1_1/colors/atomindexcolor.so
49
lib/avogadro/1_0/cmake/FindGLEW.cmake
53
lib/avogadro/1_1/colors/chargecolor.so
50
lib/avogadro/1_0/colors/atomindexcolor.so
54
lib/avogadro/1_1/colors/customcolor.so
51
lib/avogadro/1_0/colors/chargecolor.so
55
lib/avogadro/1_1/colors/distancecolor.so
52
lib/avogadro/1_0/colors/customcolor.so
56
lib/avogadro/1_1/colors/residuecolor.so
53
lib/avogadro/1_0/colors/distancecolor.so
57
lib/avogadro/1_1/colors/smartscolor.so
54
lib/avogadro/1_0/colors/residuecolor.so
58
lib/avogadro/1_1/engines/axesengine.so
55
lib/avogadro/1_0/engines/axesengine.so
59
lib/avogadro/1_1/engines/cartoonengine.so
56
lib/avogadro/1_0/engines/cartoonengine.so
60
lib/avogadro/1_1/engines/dipoleengine.so
57
lib/avogadro/1_0/engines/dipoleengine.so
61
lib/avogadro/1_1/engines/forceengine.so
58
lib/avogadro/1_0/engines/forceengine.so
62
lib/avogadro/1_1/engines/hbondengine.so
59
lib/avogadro/1_0/engines/hbondengine.so
63
lib/avogadro/1_1/engines/labelengine.so
60
lib/avogadro/1_0/engines/labelengine.so
64
lib/avogadro/1_1/engines/polygonengine.so
61
lib/avogadro/1_0/engines/overlayengine.so
65
lib/avogadro/1_1/engines/qtaimengine.so
62
lib/avogadro/1_0/engines/polygonengine.so
66
lib/avogadro/1_1/engines/ribbonengine.so
63
lib/avogadro/1_0/engines/ribbonengine.so
67
lib/avogadro/1_1/engines/ringengine.so
64
lib/avogadro/1_0/engines/ringengine.so
68
lib/avogadro/1_1/engines/simplewireengine.so
65
lib/avogadro/1_0/engines/simplewireengine.so
69
lib/avogadro/1_1/engines/sphereengine.so
66
lib/avogadro/1_0/engines/sphereengine.so
70
lib/avogadro/1_1/engines/stickengine.so
67
lib/avogadro/1_0/engines/stickengine.so
71
lib/avogadro/1_1/engines/surfaceengine.so
68
lib/avogadro/1_0/engines/surfaceengine.so
72
lib/avogadro/1_1/engines/wireengine.so
69
lib/avogadro/1_0/engines/wireengine.so
73
lib/avogadro/1_1/extensions/animationextension.so
70
lib/avogadro/1_0/extensions/animationextension.so
74
lib/avogadro/1_1/extensions/cartesianextension.so
71
lib/avogadro/1_0/extensions/fileimportextension.so
75
lib/avogadro/1_1/extensions/crystallographyextension.so
72
lib/avogadro/1_0/extensions/forcefieldextension.so
76
lib/avogadro/1_1/extensions/fileimportextension.so
73
lib/avogadro/1_0/extensions/gamessextension.so
77
lib/avogadro/1_1/extensions/forcefieldextension.so
74
lib/avogadro/1_0/extensions/h2methylextension.so
78
lib/avogadro/1_1/extensions/gamessextension.so
75
lib/avogadro/1_0/extensions/hydrogenextension.so
79
lib/avogadro/1_1/extensions/gl2psextension.so
76
lib/avogadro/1_0/extensions/inputfileextension.so
80
lib/avogadro/1_1/extensions/h2methylextension.so
77
lib/avogadro/1_0/extensions/insertfragmentextension.so
81
lib/avogadro/1_1/extensions/hydrogensextension.so
78
lib/avogadro/1_0/extensions/insertpeptideextension.so
82
lib/avogadro/1_1/extensions/inputfileextension.so
79
lib/avogadro/1_0/extensions/molecularpropextension.so
83
lib/avogadro/1_1/extensions/insertfragmentextension.so
80
lib/avogadro/1_0/extensions/networkfetchextension.so
84
lib/avogadro/1_1/extensions/insertpeptideextension.so
81
lib/avogadro/1_0/extensions/povrayextension.so
85
lib/avogadro/1_1/extensions/invertchiralextension.so
82
lib/avogadro/1_0/extensions/propextension.so
86
lib/avogadro/1_1/extensions/molecularpropextension.so
83
%%PYTHON%%lib/avogadro/1_0/extensions/pythonterminal.so
87
lib/avogadro/1_1/extensions/networkfetchextension.so
84
lib/avogadro/1_0/extensions/selectextension.so
88
lib/avogadro/1_1/extensions/orbitalextension.so
85
lib/avogadro/1_0/extensions/spectraextension.so
89
lib/avogadro/1_1/extensions/povrayextension.so
86
lib/avogadro/1_0/extensions/supercellextension.so
90
lib/avogadro/1_1/extensions/propextension.so
87
lib/avogadro/1_0/extensions/surfaceextension.so
91
%%PYTHON%%lib/avogadro/1_1/extensions/pythonterminal.so
88
lib/avogadro/1_0/extensions/unitcellextension.so
92
lib/avogadro/1_1/extensions/qtaimextension.so
89
lib/avogadro/1_0/extensions/vibrationextension.so
93
lib/avogadro/1_1/extensions/selectextension.so
90
lib/avogadro/1_0/tools/aligntool.so
94
lib/avogadro/1_1/extensions/spectraextension.so
91
lib/avogadro/1_0/tools/autoopttool.so
95
lib/avogadro/1_1/extensions/supercellextension.so
92
lib/avogadro/1_0/tools/autorotatetool.so
96
lib/avogadro/1_1/extensions/surfaceextension.so
93
lib/avogadro/1_0/tools/bondcentrictool.so
97
lib/avogadro/1_1/extensions/swcntbuilderextension.so
94
lib/avogadro/1_0/tools/clickmeasuretool.so
98
lib/avogadro/1_1/extensions/vibrationextension.so
95
lib/avogadro/1_0/tools/drawtool.so
99
lib/avogadro/1_1/tools/aligntool.so
96
lib/avogadro/1_0/tools/manipulatetool.so
100
lib/avogadro/1_1/tools/autoopttool.so
97
lib/avogadro/1_0/tools/navigatetool.so
101
lib/avogadro/1_1/tools/autorotatetool.so
98
lib/avogadro/1_0/tools/selectrotatetool.so
102
lib/avogadro/1_1/tools/bondcentrictool.so
103
lib/avogadro/1_1/tools/clickmeasuretool.so
104
lib/avogadro/1_1/tools/drawtool.so
105
lib/avogadro/1_1/tools/manipulatetool.so
106
lib/avogadro/1_1/tools/selectrotatetool.so
99
lib/avogadro/AvogadroConfig.cmake
107
lib/avogadro/AvogadroConfig.cmake
100
lib/avogadro/AvogadroConfigVersion.cmake
108
lib/avogadro/AvogadroConfigVersion.cmake
109
lib/avogadro/AvogadroTargets-release.cmake
110
lib/avogadro/AvogadroTargets.cmake
101
lib/libavogadro.so
111
lib/libavogadro.so
102
lib/libavogadro.so.1
112
lib/libavogadro.so.1
103
lib/libavogadro.so.1.0.3
113
lib/libavogadro.so.1.1.0
114
lib/libavogadro_OpenQube.so
115
lib/libavogadro_OpenQube.so.0
116
lib/libavogadro_OpenQube.so.0.1.0
104
%%PYTHON%%%%PYTHON_SITELIBDIR%%/Avogadro.so
117
%%PYTHON%%%%PYTHON_SITELIBDIR%%/Avogadro.so
118
libdata/pkgconfig/avogadro.pc
119
share/applications/avogadro.desktop
105
%%DATADIR%%/builder/amino/d-ala.zmat
120
%%DATADIR%%/builder/amino/d-ala.zmat
106
%%DATADIR%%/builder/amino/d-arg.zmat
121
%%DATADIR%%/builder/amino/d-arg.zmat
107
%%DATADIR%%/builder/amino/d-asn.zmat
122
%%DATADIR%%/builder/amino/d-asn.zmat
Lines 143-160 Link Here
143
%%DATADIR%%/builder/amino/l-trp.zmat
158
%%DATADIR%%/builder/amino/l-trp.zmat
144
%%DATADIR%%/builder/amino/l-tyr.zmat
159
%%DATADIR%%/builder/amino/l-tyr.zmat
145
%%DATADIR%%/builder/amino/l-val.zmat
160
%%DATADIR%%/builder/amino/l-val.zmat
161
%%DATADIR%%/crystals/antimonides/AlSb.cif
162
%%DATADIR%%/crystals/antimonides/GaSb.cif
163
%%DATADIR%%/crystals/antimonides/InSb.cif
164
%%DATADIR%%/crystals/arsenides/AlAs.cif
165
%%DATADIR%%/crystals/arsenides/BAs.cif
166
%%DATADIR%%/crystals/arsenides/Co.87Fe.11Ni.13As3-Skutterudite.cif
167
%%DATADIR%%/crystals/arsenides/CoAs3-Skutterudite.cif
168
%%DATADIR%%/crystals/arsenides/GaAs.cif
169
%%DATADIR%%/crystals/arsenides/InAs.cif
170
%%DATADIR%%/crystals/arsenides/NiAs-Nickeline.cif
171
%%DATADIR%%/crystals/carbides/SiC-2H-Moissanite.cif
172
%%DATADIR%%/crystals/carbides/SiC-3C-beta.cif
173
%%DATADIR%%/crystals/carbides/SiC-6H-alpha.cif
174
%%DATADIR%%/crystals/carbides/SiC-Moissanite.cif
175
%%DATADIR%%/crystals/carbides/SiC.cif
176
%%DATADIR%%/crystals/carbides/W2C.cif
177
%%DATADIR%%/crystals/carbides/WC.cif
178
%%DATADIR%%/crystals/carbonates/CaCO3-Calcite.cif
179
%%DATADIR%%/crystals/carbonates/CaMgC2O6-Dolomite.cif
180
%%DATADIR%%/crystals/carbonates/Li2CO3-Zabuyelite.cif
181
%%DATADIR%%/crystals/carbonates/MgCO3-Magnesite.cif
182
%%DATADIR%%/crystals/carbonates/Na2CO3-Natrite.cif
183
%%DATADIR%%/crystals/clays/Al2Si2O9H4-Dickite.cif
184
%%DATADIR%%/crystals/clays/Al2Si2O9H4-Kaolinite.cif
185
%%DATADIR%%/crystals/clays/Al2Si2O9H4-Nacrite.cif
186
%%DATADIR%%/crystals/clays/Al2Si4O12Ca0.5-Montmorillonite.cif
187
%%DATADIR%%/crystals/clays/Al4KSi2O12-Illite.cif
188
%%DATADIR%%/crystals/clays/AlSi2O6H-Pyrophyllite.cif
189
%%DATADIR%%/crystals/clays/Fe2.25Cl0.5H2.75-Fougerite.cif
190
%%DATADIR%%/crystals/clays/FeSi2O6H-Nontronite.cif
191
%%DATADIR%%/crystals/clays/Lepidolite.cif
192
%%DATADIR%%/crystals/clays/Mg2Al2SiO9H4-Amesite.cif
193
%%DATADIR%%/crystals/clays/Mg3(O12Si4)H2-Vermiculite.cif
194
%%DATADIR%%/crystals/clays/Mg4Si6O22.82H13.64-Sepiolite.cif
195
%%DATADIR%%/crystals/clays/Mn1.854Fe1.656Mg0.537Si0.953O9H4-Guidottiite.cif
196
%%DATADIR%%/crystals/clays/Zn2SiO5H2-Hemimorphite.cif
197
%%DATADIR%%/crystals/elements/Ac-Actinium.cif
198
%%DATADIR%%/crystals/elements/Ag-Silver.cif
199
%%DATADIR%%/crystals/elements/Al-Aluminum.cif
200
%%DATADIR%%/crystals/elements/Am-Americium.cif
201
%%DATADIR%%/crystals/elements/Ar-Argon.cif
202
%%DATADIR%%/crystals/elements/As-Arsenic.cif
203
%%DATADIR%%/crystals/elements/As-Arsenolamprite.cif
204
%%DATADIR%%/crystals/elements/Au-Gold.cif
205
%%DATADIR%%/crystals/elements/B-Boron.cif
206
%%DATADIR%%/crystals/elements/Ba-Barium.cif
207
%%DATADIR%%/crystals/elements/Be-Beryllium.cif
208
%%DATADIR%%/crystals/elements/Bi-Bismuth.cif
209
%%DATADIR%%/crystals/elements/Br-Bromine.cif
210
%%DATADIR%%/crystals/elements/C-Diamond.cif
211
%%DATADIR%%/crystals/elements/C-Graphite.cif
212
%%DATADIR%%/crystals/elements/C-Lonsdaleite.cif
213
%%DATADIR%%/crystals/elements/Ca-Calcium-alpha.cif
214
%%DATADIR%%/crystals/elements/Ca-Calcium-beta.cif
215
%%DATADIR%%/crystals/elements/Ca-Calcium-gamma.cif
216
%%DATADIR%%/crystals/elements/Cd-Cadmium.cif
217
%%DATADIR%%/crystals/elements/Ce-Cerium.cif
218
%%DATADIR%%/crystals/elements/Cl-Chlorine.cif
219
%%DATADIR%%/crystals/elements/Co-Cobalt.cif
220
%%DATADIR%%/crystals/elements/Cr-Chromium.cif
221
%%DATADIR%%/crystals/elements/Cs-Cesium.cif
222
%%DATADIR%%/crystals/elements/Cu-Copper.cif
223
%%DATADIR%%/crystals/elements/Dy-Dysprosium.cif
224
%%DATADIR%%/crystals/elements/Er-Erbium.cif
225
%%DATADIR%%/crystals/elements/Eu-Europium.cif
226
%%DATADIR%%/crystals/elements/Fe-Iron-alpha.cif
227
%%DATADIR%%/crystals/elements/Fe-Iron-beta.cif
228
%%DATADIR%%/crystals/elements/Fe-Iron-delta.cif
229
%%DATADIR%%/crystals/elements/Fe-Iron-gamma.cif
230
%%DATADIR%%/crystals/elements/Ga-Gallium.cif
231
%%DATADIR%%/crystals/elements/Gd-Gadolinium.cif
232
%%DATADIR%%/crystals/elements/Ge-Germanium.cif
233
%%DATADIR%%/crystals/elements/He-Helium.cif
234
%%DATADIR%%/crystals/elements/Hf-Hafnium.cif
235
%%DATADIR%%/crystals/elements/Ho-Holmium.cif
236
%%DATADIR%%/crystals/elements/I-Iodine.cif
237
%%DATADIR%%/crystals/elements/In-Indium.cif
238
%%DATADIR%%/crystals/elements/Ir-Iridium.cif
239
%%DATADIR%%/crystals/elements/K-Potassium.cif
240
%%DATADIR%%/crystals/elements/Kr-Krypton.cif
241
%%DATADIR%%/crystals/elements/La-Lanthanum.cif
242
%%DATADIR%%/crystals/elements/Li-Lithium.cif
243
%%DATADIR%%/crystals/elements/Lu-Lutetium.cif
244
%%DATADIR%%/crystals/elements/Mg-Magnesium.cif
245
%%DATADIR%%/crystals/elements/Mn-Manganese-alpha.cif
246
%%DATADIR%%/crystals/elements/Mn-Manganese-delta.cif
247
%%DATADIR%%/crystals/elements/Mn-Manganese-gamma.cif
248
%%DATADIR%%/crystals/elements/Mo-Molybdenum.cif
249
%%DATADIR%%/crystals/elements/N-Nitrogen.cif
250
%%DATADIR%%/crystals/elements/Na-Sodium.cif
251
%%DATADIR%%/crystals/elements/Nb-Niobium.cif
252
%%DATADIR%%/crystals/elements/Nd-Neodymium.cif
253
%%DATADIR%%/crystals/elements/Ne-Neon.cif
254
%%DATADIR%%/crystals/elements/Ni-Nickel.cif
255
%%DATADIR%%/crystals/elements/Np-Neptunium-alpha.cif
256
%%DATADIR%%/crystals/elements/Np-Neptunium-beta.cif
257
%%DATADIR%%/crystals/elements/Np-Neptunium-gamma.cif
258
%%DATADIR%%/crystals/elements/Os-Osmium.cif
259
%%DATADIR%%/crystals/elements/P-Phosphorus-black.cif
260
%%DATADIR%%/crystals/elements/P-Phosphorus.cif
261
%%DATADIR%%/crystals/elements/Pb-Lead.cif
262
%%DATADIR%%/crystals/elements/Pd-Palladium.cif
263
%%DATADIR%%/crystals/elements/Pr-Praseodymium.cif
264
%%DATADIR%%/crystals/elements/Pt-Platinum.cif
265
%%DATADIR%%/crystals/elements/Pu-Plutonium-alpha.cif
266
%%DATADIR%%/crystals/elements/Pu-Plutonium-epsilon.cif
267
%%DATADIR%%/crystals/elements/Pu-Plutonium-gamma.cif
268
%%DATADIR%%/crystals/elements/Rb-Rubidium.cif
269
%%DATADIR%%/crystals/elements/Re-Rhenium.cif
270
%%DATADIR%%/crystals/elements/Rh-Rhodium.cif
271
%%DATADIR%%/crystals/elements/Ru-Ruthenium.cif
272
%%DATADIR%%/crystals/elements/S6-Sulfur.cif
273
%%DATADIR%%/crystals/elements/S8-Sulfur-alpha.cif
274
%%DATADIR%%/crystals/elements/S8-Sulfur-beta.cif
275
%%DATADIR%%/crystals/elements/S8-Sulfur-gamma.cif
276
%%DATADIR%%/crystals/elements/Sb-Antimony.cif
277
%%DATADIR%%/crystals/elements/Sc-Scandium.cif
278
%%DATADIR%%/crystals/elements/Se-Selenium.cif
279
%%DATADIR%%/crystals/elements/Si-Silicon.cif
280
%%DATADIR%%/crystals/elements/Sm-Samarium.cif
281
%%DATADIR%%/crystals/elements/Sn-Tin-alpha.cif
282
%%DATADIR%%/crystals/elements/Sn-Tin-beta.cif
283
%%DATADIR%%/crystals/elements/Sr-Strontium.cif
284
%%DATADIR%%/crystals/elements/Ta-Tantalum.cif
285
%%DATADIR%%/crystals/elements/Tb-Terbium.cif
286
%%DATADIR%%/crystals/elements/Te-Tellurium.cif
287
%%DATADIR%%/crystals/elements/Th-Thorium.cif
288
%%DATADIR%%/crystals/elements/Ti-Titanium-alpha.cif
289
%%DATADIR%%/crystals/elements/Ti-Titanium-beta.cif
290
%%DATADIR%%/crystals/elements/Tl-Thallium.cif
291
%%DATADIR%%/crystals/elements/Tm-Thulium.cif
292
%%DATADIR%%/crystals/elements/U-Uranium-alpha.cif
293
%%DATADIR%%/crystals/elements/U-Uranium-gamma.cif
294
%%DATADIR%%/crystals/elements/V-Vanadium.cif
295
%%DATADIR%%/crystals/elements/W-Tungsten.cif
296
%%DATADIR%%/crystals/elements/Xe-Xenon.cif
297
%%DATADIR%%/crystals/elements/Y-Yttrium.cif
298
%%DATADIR%%/crystals/elements/Yb-Ytterbium.cif
299
%%DATADIR%%/crystals/elements/Zn-Zinc.cif
300
%%DATADIR%%/crystals/elements/Zr-Zirconium.cif
301
%%DATADIR%%/crystals/halides/AgBr-Bromargyrite.cif
302
%%DATADIR%%/crystals/halides/AgCl-Chlorargyrite.cif
303
%%DATADIR%%/crystals/halides/AlCl3.cif
304
%%DATADIR%%/crystals/halides/AlNa3F6-Cryolite.cif
305
%%DATADIR%%/crystals/halides/CaF2-Fluorite.cif
306
%%DATADIR%%/crystals/halides/CdCl2.cif
307
%%DATADIR%%/crystals/halides/CdI2.cif
308
%%DATADIR%%/crystals/halides/CrCl2.cif
309
%%DATADIR%%/crystals/halides/CrCl3.cif
310
%%DATADIR%%/crystals/halides/CsCl.cif
311
%%DATADIR%%/crystals/halides/FeCl3-Molysite.cif
312
%%DATADIR%%/crystals/halides/HgCl-Calomel.cif
313
%%DATADIR%%/crystals/halides/KBr.cif
314
%%DATADIR%%/crystals/halides/KCl-Sylvite.cif
315
%%DATADIR%%/crystals/halides/NaCl-Halite.cif
316
%%DATADIR%%/crystals/halides/PbFCl-Matlockite.cif
317
%%DATADIR%%/crystals/hydrides/KH.cif
318
%%DATADIR%%/crystals/hydrides/LiH.cif
319
%%DATADIR%%/crystals/hydrides/NaH.cif
320
%%DATADIR%%/crystals/hydrides/PdH.cif
321
%%DATADIR%%/crystals/hydroxides/Ca(OH)2-Portlandite.cif
322
%%DATADIR%%/crystals/hydroxides/KOH.cif
323
%%DATADIR%%/crystals/hydroxides/LiOH.cif
324
%%DATADIR%%/crystals/hydroxides/Mg(OH)2-Brucite.cif
325
%%DATADIR%%/crystals/hydroxides/Ni(OH)2-Theophrastite.cif
326
%%DATADIR%%/crystals/ice/H2O-Ice-II.cif
327
%%DATADIR%%/crystals/ice/H2O-Ice-III.cif
328
%%DATADIR%%/crystals/ice/H2O-Ice-IV.cif
329
%%DATADIR%%/crystals/ice/H2O-Ice-Ih.cif
330
%%DATADIR%%/crystals/ice/H2O-Ice-VI.cif
331
%%DATADIR%%/crystals/ice/H2O-Ice-VII.cif
332
%%DATADIR%%/crystals/ice/H2O-Ice.cif
333
%%DATADIR%%/crystals/intermetallics/(Cu0.5Fe0.5)Pt-Tulameenite.cif
334
%%DATADIR%%/crystals/intermetallics/(Ni0.5Fe0.5)Pt-Ferronickelplatinum.cif
335
%%DATADIR%%/crystals/intermetallics/Au3Cu-Bogdanovite.cif
336
%%DATADIR%%/crystals/intermetallics/AuCu-Tetraauricupride.cif
337
%%DATADIR%%/crystals/intermetallics/BiPd-Sobolevskite.cif
338
%%DATADIR%%/crystals/intermetallics/CoFe-Wairauite.cif
339
%%DATADIR%%/crystals/intermetallics/Cu2MnAl-Heusler.cif
340
%%DATADIR%%/crystals/intermetallics/FePt-Tetraferroplatinum.cif
341
%%DATADIR%%/crystals/intermetallics/PtBi.cif
342
%%DATADIR%%/crystals/nitrides/AlN.cif
343
%%DATADIR%%/crystals/nitrides/BN.cif
344
%%DATADIR%%/crystals/nitrides/GaN.cif
345
%%DATADIR%%/crystals/nitrides/InN.cif
346
%%DATADIR%%/crystals/nitrides/Si3N4-beta.cif
347
%%DATADIR%%/crystals/other/(NH4)MgPO4-6(H2O)-Struvite.cif
348
%%DATADIR%%/crystals/other/C10H10Fe-Ferrocene.cif
349
%%DATADIR%%/crystals/other/Ca2C4O10H2.57-Oxalate-Whewellite.cif
350
%%DATADIR%%/crystals/other/CaC2O6.375H6-Oxalate-Weddellite.cif
351
%%DATADIR%%/crystals/other/FeMnO3-Bixbyite.cif
352
%%DATADIR%%/crystals/other/H3N-Ammonia.cif
353
%%DATADIR%%/crystals/other/LaAlO3.cif
354
%%DATADIR%%/crystals/other/LiNbO3-LithiumNiobate.cif
355
%%DATADIR%%/crystals/other/Pb1Ti0.35Zr0.65O3-PZT-cub.cif
356
%%DATADIR%%/crystals/other/Pb1Ti0.35Zr0.65O3-PZT-rhomb.cif
357
%%DATADIR%%/crystals/other/YBa2Cu3O6.9-YBCO.cif
358
%%DATADIR%%/crystals/oxides/(MgAl2)O4-Spinel.cif
359
%%DATADIR%%/crystals/oxides/Ag2O.cif
360
%%DATADIR%%/crystals/oxides/AgO.cif
361
%%DATADIR%%/crystals/oxides/Al2O3-Corundum.cif
362
%%DATADIR%%/crystals/oxides/BaO.cif
363
%%DATADIR%%/crystals/oxides/CaO-Lime.cif
364
%%DATADIR%%/crystals/oxides/CdO-Monteponite.cif
365
%%DATADIR%%/crystals/oxides/CeO2-Cerianite.cif
366
%%DATADIR%%/crystals/oxides/CoFe2O4.cif
367
%%DATADIR%%/crystals/oxides/CoO.cif
368
%%DATADIR%%/crystals/oxides/Cr2O3-Eskolaite.cif
369
%%DATADIR%%/crystals/oxides/Cu2O-Cuprite.cif
370
%%DATADIR%%/crystals/oxides/CuO-Tenorite.cif
371
%%DATADIR%%/crystals/oxides/Fe2O3-Hematite.cif
372
%%DATADIR%%/crystals/oxides/Fe3O4-Magnetite.cif
373
%%DATADIR%%/crystals/oxides/FeO-Wustite.cif
374
%%DATADIR%%/crystals/oxides/GeO2-Argutite-tetrag.cif
375
%%DATADIR%%/crystals/oxides/GeO2-Argutite.cif
376
%%DATADIR%%/crystals/oxides/GeO2.cif
377
%%DATADIR%%/crystals/oxides/HfO2.cif
378
%%DATADIR%%/crystals/oxides/In2O3-IndiumOxide.cif
379
%%DATADIR%%/crystals/oxides/In2O3.cif
380
%%DATADIR%%/crystals/oxides/IrO2.cif
381
%%DATADIR%%/crystals/oxides/K2O.cif
382
%%DATADIR%%/crystals/oxides/La2O3-LanthanumOxide-A.cif
383
%%DATADIR%%/crystals/oxides/Li2O.cif
384
%%DATADIR%%/crystals/oxides/MgO-Periclase.cif
385
%%DATADIR%%/crystals/oxides/MnO-Manganosite.cif
386
%%DATADIR%%/crystals/oxides/MnO2-Pyrolusite.cif
387
%%DATADIR%%/crystals/oxides/MoO2-Tugarinovite.cif
388
%%DATADIR%%/crystals/oxides/MoO3-Molybdite.cif
389
%%DATADIR%%/crystals/oxides/Na2O.cif
390
%%DATADIR%%/crystals/oxides/NbO.cif
391
%%DATADIR%%/crystals/oxides/NbO2.cif
392
%%DATADIR%%/crystals/oxides/NiFe2O4.cif
393
%%DATADIR%%/crystals/oxides/NiO-Bunsenite.cif
394
%%DATADIR%%/crystals/oxides/PbO.cif
395
%%DATADIR%%/crystals/oxides/PbO2-Scrutinyite.cif
396
%%DATADIR%%/crystals/oxides/PdO.cif
397
%%DATADIR%%/crystals/oxides/PtO2-beta.cif
398
%%DATADIR%%/crystals/oxides/Rb2O.cif
399
%%DATADIR%%/crystals/oxides/Rh2O3.cif
400
%%DATADIR%%/crystals/oxides/RuO2.cif
401
%%DATADIR%%/crystals/oxides/Sc2O3.cif
402
%%DATADIR%%/crystals/oxides/SiO2-Coesite.cif
403
%%DATADIR%%/crystals/oxides/SiO2-Cristobalite.cif
404
%%DATADIR%%/crystals/oxides/SiO2-Quartz-alpha.cif
405
%%DATADIR%%/crystals/oxides/SiO2-Quartz-beta.cif
406
%%DATADIR%%/crystals/oxides/SiO2-Stishovite.cif
407
%%DATADIR%%/crystals/oxides/SmO.cif
408
%%DATADIR%%/crystals/oxides/SnO.cif
409
%%DATADIR%%/crystals/oxides/SnO2-Cassiterite.cif
410
%%DATADIR%%/crystals/oxides/SrO.cif
411
%%DATADIR%%/crystals/oxides/TaO.cif
412
%%DATADIR%%/crystals/oxides/TiO2-Anatase.cif
413
%%DATADIR%%/crystals/oxides/TiO2-Brookite.cif
414
%%DATADIR%%/crystals/oxides/TiO2-Rutile.cif
415
%%DATADIR%%/crystals/oxides/UO.cif
416
%%DATADIR%%/crystals/oxides/UO2-Uraninite.cif
417
%%DATADIR%%/crystals/oxides/V2O3-Karelianite.cif
418
%%DATADIR%%/crystals/oxides/V2O5-Shcherbinaite.cif
419
%%DATADIR%%/crystals/oxides/VO.cif
420
%%DATADIR%%/crystals/oxides/VO2.cif
421
%%DATADIR%%/crystals/oxides/WO2.cif
422
%%DATADIR%%/crystals/oxides/Y2O3.cif
423
%%DATADIR%%/crystals/oxides/YbO.cif
424
%%DATADIR%%/crystals/oxides/ZnO-Zincite.cif
425
%%DATADIR%%/crystals/oxides/ZrO.cif
426
%%DATADIR%%/crystals/oxides/ZrO2-Cubic.cif
427
%%DATADIR%%/crystals/phosphides/AlP.cif
428
%%DATADIR%%/crystals/phosphides/BP.cif
429
%%DATADIR%%/crystals/phosphides/GaP.cif
430
%%DATADIR%%/crystals/phosphides/InP.cif
431
%%DATADIR%%/crystals/selenides/Bi2Se3.cif
432
%%DATADIR%%/crystals/selenides/BiSe.cif
433
%%DATADIR%%/crystals/selenides/CdSe-Cadmoselite.cif
434
%%DATADIR%%/crystals/selenides/HgSe-Tiemannite.cif
435
%%DATADIR%%/crystals/selenides/PbSe-Clausthalite.cif
436
%%DATADIR%%/crystals/selenides/Sb2Se3-Antimonselite.cif
437
%%DATADIR%%/crystals/selenides/ZnSe.cif
438
%%DATADIR%%/crystals/silicates/Be3Al2(SiO3)6-Beryl.cif
439
%%DATADIR%%/crystals/sulfates/BaSO4-Barite.cif
440
%%DATADIR%%/crystals/sulfates/CaSO4-2(H2O)-Gypsum.cif
441
%%DATADIR%%/crystals/sulfates/CaSO4-Anhydrite.cif
442
%%DATADIR%%/crystals/sulfates/CoSO4.cif
443
%%DATADIR%%/crystals/sulfates/CuSO4.cif
444
%%DATADIR%%/crystals/sulfates/MgSO4.cif
445
%%DATADIR%%/crystals/sulfates/PbSO4-Anglesite.cif
446
%%DATADIR%%/crystals/sulfates/SrSO4-Celestine.cif
447
%%DATADIR%%/crystals/sulfides/Bi2S3-Bismuthinite.cif
448
%%DATADIR%%/crystals/sulfides/CdS-Greenockite.cif
449
%%DATADIR%%/crystals/sulfides/CdS-Hawleyite.cif
450
%%DATADIR%%/crystals/sulfides/FeS.cif
451
%%DATADIR%%/crystals/sulfides/FeS2-Pyrite.cif
452
%%DATADIR%%/crystals/sulfides/HgS-Metacinnabar.cif
453
%%DATADIR%%/crystals/sulfides/PbS-Galena.cif
454
%%DATADIR%%/crystals/sulfides/Sb2S3-Stibnite.cif
455
%%DATADIR%%/crystals/sulfides/SnS-Herzenbergite.cif
456
%%DATADIR%%/crystals/sulfides/ZnS-Sphalerite.cif
457
%%DATADIR%%/crystals/sulfides/ZnS-Wurtzite-2H.cif
458
%%DATADIR%%/crystals/sulfides/ZnS-Zincblende.cif
459
%%DATADIR%%/crystals/telurides/Bi2Te3.cif
460
%%DATADIR%%/crystals/telurides/BiTe.cif
461
%%DATADIR%%/crystals/telurides/CdTe.cif
462
%%DATADIR%%/crystals/telurides/PbTe-Altaite.cif
463
%%DATADIR%%/crystals/telurides/ZnTe.cif
464
%%DATADIR%%/crystals/titanates/BaTiO3.cif
465
%%DATADIR%%/crystals/titanates/CaTiO3-Perovskite.cif
466
%%DATADIR%%/crystals/titanates/Mg2TiO4-Qandilite-cubic.cif
467
%%DATADIR%%/crystals/titanates/Mg2TiO4-Qandilite-tetrag.cif
468
%%DATADIR%%/crystals/titanates/MgTiO3.cif
469
%%DATADIR%%/crystals/titanates/SrTiO3-Tausonite.cif
470
%%DATADIR%%/crystals/zeolites/ABW.cif
471
%%DATADIR%%/crystals/zeolites/ACO.cif
472
%%DATADIR%%/crystals/zeolites/AEI.cif
473
%%DATADIR%%/crystals/zeolites/AEL.cif
474
%%DATADIR%%/crystals/zeolites/AEN.cif
475
%%DATADIR%%/crystals/zeolites/AET.cif
476
%%DATADIR%%/crystals/zeolites/AFG.cif
477
%%DATADIR%%/crystals/zeolites/AFI.cif
478
%%DATADIR%%/crystals/zeolites/AFN.cif
479
%%DATADIR%%/crystals/zeolites/AFO.cif
480
%%DATADIR%%/crystals/zeolites/AFR.cif
481
%%DATADIR%%/crystals/zeolites/AFS.cif
482
%%DATADIR%%/crystals/zeolites/AFT.cif
483
%%DATADIR%%/crystals/zeolites/AFX.cif
484
%%DATADIR%%/crystals/zeolites/AFY.cif
485
%%DATADIR%%/crystals/zeolites/AHT.cif
486
%%DATADIR%%/crystals/zeolites/ANA.cif
487
%%DATADIR%%/crystals/zeolites/APC.cif
488
%%DATADIR%%/crystals/zeolites/APD.cif
489
%%DATADIR%%/crystals/zeolites/AST.cif
490
%%DATADIR%%/crystals/zeolites/ASV.cif
491
%%DATADIR%%/crystals/zeolites/ATN.cif
492
%%DATADIR%%/crystals/zeolites/ATO.cif
493
%%DATADIR%%/crystals/zeolites/ATS.cif
494
%%DATADIR%%/crystals/zeolites/ATT.cif
495
%%DATADIR%%/crystals/zeolites/ATV.cif
496
%%DATADIR%%/crystals/zeolites/AWO.cif
497
%%DATADIR%%/crystals/zeolites/AWW.cif
498
%%DATADIR%%/crystals/zeolites/BCT.cif
499
%%DATADIR%%/crystals/zeolites/BEA.cif
500
%%DATADIR%%/crystals/zeolites/BEC.cif
501
%%DATADIR%%/crystals/zeolites/BIK.cif
502
%%DATADIR%%/crystals/zeolites/BOF.cif
503
%%DATADIR%%/crystals/zeolites/BOG.cif
504
%%DATADIR%%/crystals/zeolites/BPH.cif
505
%%DATADIR%%/crystals/zeolites/BRE.cif
506
%%DATADIR%%/crystals/zeolites/BSV.cif
507
%%DATADIR%%/crystals/zeolites/CAN.cif
508
%%DATADIR%%/crystals/zeolites/CAS.cif
509
%%DATADIR%%/crystals/zeolites/CDO.cif
510
%%DATADIR%%/crystals/zeolites/CFI.cif
511
%%DATADIR%%/crystals/zeolites/CGF.cif
512
%%DATADIR%%/crystals/zeolites/CGS.cif
513
%%DATADIR%%/crystals/zeolites/CHA.cif
514
%%DATADIR%%/crystals/zeolites/CHI.cif
515
%%DATADIR%%/crystals/zeolites/CLO.cif
516
%%DATADIR%%/crystals/zeolites/CON.cif
517
%%DATADIR%%/crystals/zeolites/CZP.cif
518
%%DATADIR%%/crystals/zeolites/DAC.cif
519
%%DATADIR%%/crystals/zeolites/DDR.cif
520
%%DATADIR%%/crystals/zeolites/DFO.cif
521
%%DATADIR%%/crystals/zeolites/DFT.cif
522
%%DATADIR%%/crystals/zeolites/DOH.cif
523
%%DATADIR%%/crystals/zeolites/DON.cif
524
%%DATADIR%%/crystals/zeolites/EAB.cif
525
%%DATADIR%%/crystals/zeolites/EDI.cif
526
%%DATADIR%%/crystals/zeolites/EMT.cif
527
%%DATADIR%%/crystals/zeolites/EON.cif
528
%%DATADIR%%/crystals/zeolites/EPI.cif
529
%%DATADIR%%/crystals/zeolites/ERI.cif
530
%%DATADIR%%/crystals/zeolites/ESV.cif
531
%%DATADIR%%/crystals/zeolites/ETR.cif
532
%%DATADIR%%/crystals/zeolites/EUO.cif
533
%%DATADIR%%/crystals/zeolites/EZT.cif
534
%%DATADIR%%/crystals/zeolites/FAR.cif
535
%%DATADIR%%/crystals/zeolites/FAU.cif
536
%%DATADIR%%/crystals/zeolites/FER.cif
537
%%DATADIR%%/crystals/zeolites/FRA.cif
538
%%DATADIR%%/crystals/zeolites/GIS.cif
539
%%DATADIR%%/crystals/zeolites/GIU.cif
540
%%DATADIR%%/crystals/zeolites/GME.cif
541
%%DATADIR%%/crystals/zeolites/GON.cif
542
%%DATADIR%%/crystals/zeolites/GOO.cif
543
%%DATADIR%%/crystals/zeolites/HEU.cif
544
%%DATADIR%%/crystals/zeolites/IFR.cif
545
%%DATADIR%%/crystals/zeolites/IHW.cif
546
%%DATADIR%%/crystals/zeolites/IMF.cif
547
%%DATADIR%%/crystals/zeolites/IRR.cif
548
%%DATADIR%%/crystals/zeolites/ISV.cif
549
%%DATADIR%%/crystals/zeolites/ITE.cif
550
%%DATADIR%%/crystals/zeolites/ITH.cif
551
%%DATADIR%%/crystals/zeolites/ITR.cif
552
%%DATADIR%%/crystals/zeolites/ITV.cif
553
%%DATADIR%%/crystals/zeolites/ITW.cif
554
%%DATADIR%%/crystals/zeolites/IWR.cif
555
%%DATADIR%%/crystals/zeolites/IWS.cif
556
%%DATADIR%%/crystals/zeolites/IWV.cif
557
%%DATADIR%%/crystals/zeolites/IWW.cif
558
%%DATADIR%%/crystals/zeolites/JBW.cif
559
%%DATADIR%%/crystals/zeolites/JRY.cif
560
%%DATADIR%%/crystals/zeolites/KFI.cif
561
%%DATADIR%%/crystals/zeolites/LAU.cif
562
%%DATADIR%%/crystals/zeolites/LEV.cif
563
%%DATADIR%%/crystals/zeolites/LIO.cif
564
%%DATADIR%%/crystals/zeolites/LIT.cif
565
%%DATADIR%%/crystals/zeolites/LOS.cif
566
%%DATADIR%%/crystals/zeolites/LOV.cif
567
%%DATADIR%%/crystals/zeolites/LTA.cif
568
%%DATADIR%%/crystals/zeolites/LTF.cif
569
%%DATADIR%%/crystals/zeolites/LTL.cif
570
%%DATADIR%%/crystals/zeolites/LTN.cif
571
%%DATADIR%%/crystals/zeolites/MAR.cif
572
%%DATADIR%%/crystals/zeolites/MAZ.cif
573
%%DATADIR%%/crystals/zeolites/MEI.cif
574
%%DATADIR%%/crystals/zeolites/MEL.cif
575
%%DATADIR%%/crystals/zeolites/MEP.cif
576
%%DATADIR%%/crystals/zeolites/MER.cif
577
%%DATADIR%%/crystals/zeolites/MFI.cif
578
%%DATADIR%%/crystals/zeolites/MFS.cif
579
%%DATADIR%%/crystals/zeolites/MON.cif
580
%%DATADIR%%/crystals/zeolites/MOR.cif
581
%%DATADIR%%/crystals/zeolites/MOZ.cif
582
%%DATADIR%%/crystals/zeolites/MRE.cif
583
%%DATADIR%%/crystals/zeolites/MSE.cif
584
%%DATADIR%%/crystals/zeolites/MSO.cif
585
%%DATADIR%%/crystals/zeolites/MTF.cif
586
%%DATADIR%%/crystals/zeolites/MTN.cif
587
%%DATADIR%%/crystals/zeolites/MTT.cif
588
%%DATADIR%%/crystals/zeolites/MTW.cif
589
%%DATADIR%%/crystals/zeolites/MVY.cif
590
%%DATADIR%%/crystals/zeolites/MWW.cif
591
%%DATADIR%%/crystals/zeolites/NAB.cif
592
%%DATADIR%%/crystals/zeolites/NAT.cif
593
%%DATADIR%%/crystals/zeolites/NES.cif
594
%%DATADIR%%/crystals/zeolites/NON.cif
595
%%DATADIR%%/crystals/zeolites/NPO.cif
596
%%DATADIR%%/crystals/zeolites/NSI.cif
597
%%DATADIR%%/crystals/zeolites/OBW.cif
598
%%DATADIR%%/crystals/zeolites/OFF.cif
599
%%DATADIR%%/crystals/zeolites/OSI.cif
600
%%DATADIR%%/crystals/zeolites/OSO.cif
601
%%DATADIR%%/crystals/zeolites/OWE.cif
602
%%DATADIR%%/crystals/zeolites/PAR.cif
603
%%DATADIR%%/crystals/zeolites/PAU.cif
604
%%DATADIR%%/crystals/zeolites/PHI.cif
605
%%DATADIR%%/crystals/zeolites/PON.cif
606
%%DATADIR%%/crystals/zeolites/PUN.cif
607
%%DATADIR%%/crystals/zeolites/RHO.cif
608
%%DATADIR%%/crystals/zeolites/RON.cif
609
%%DATADIR%%/crystals/zeolites/RRO.cif
610
%%DATADIR%%/crystals/zeolites/RSN.cif
611
%%DATADIR%%/crystals/zeolites/RTE.cif
612
%%DATADIR%%/crystals/zeolites/RTH.cif
613
%%DATADIR%%/crystals/zeolites/RUT.cif
614
%%DATADIR%%/crystals/zeolites/RWR.cif
615
%%DATADIR%%/crystals/zeolites/RWY.cif
616
%%DATADIR%%/crystals/zeolites/SAF.cif
617
%%DATADIR%%/crystals/zeolites/SAO.cif
618
%%DATADIR%%/crystals/zeolites/SAS.cif
619
%%DATADIR%%/crystals/zeolites/SAT.cif
620
%%DATADIR%%/crystals/zeolites/SAV.cif
621
%%DATADIR%%/crystals/zeolites/SBE.cif
622
%%DATADIR%%/crystals/zeolites/SBN.cif
623
%%DATADIR%%/crystals/zeolites/SBS.cif
624
%%DATADIR%%/crystals/zeolites/SBT.cif
625
%%DATADIR%%/crystals/zeolites/SFE.cif
626
%%DATADIR%%/crystals/zeolites/SFF.cif
627
%%DATADIR%%/crystals/zeolites/SFG.cif
628
%%DATADIR%%/crystals/zeolites/SFH.cif
629
%%DATADIR%%/crystals/zeolites/SFN.cif
630
%%DATADIR%%/crystals/zeolites/SFO.cif
631
%%DATADIR%%/crystals/zeolites/SFS.cif
632
%%DATADIR%%/crystals/zeolites/SGT.cif
633
%%DATADIR%%/crystals/zeolites/SIV.cif
634
%%DATADIR%%/crystals/zeolites/SOD.cif
635
%%DATADIR%%/crystals/zeolites/SOF.cif
636
%%DATADIR%%/crystals/zeolites/SOS.cif
637
%%DATADIR%%/crystals/zeolites/SSF.cif
638
%%DATADIR%%/crystals/zeolites/SSY.cif
639
%%DATADIR%%/crystals/zeolites/STF.cif
640
%%DATADIR%%/crystals/zeolites/STI.cif
641
%%DATADIR%%/crystals/zeolites/STO.cif
642
%%DATADIR%%/crystals/zeolites/STT.cif
643
%%DATADIR%%/crystals/zeolites/STW.cif
644
%%DATADIR%%/crystals/zeolites/SVR.cif
645
%%DATADIR%%/crystals/zeolites/SZR.cif
646
%%DATADIR%%/crystals/zeolites/TER.cif
647
%%DATADIR%%/crystals/zeolites/THO.cif
648
%%DATADIR%%/crystals/zeolites/TOL.cif
649
%%DATADIR%%/crystals/zeolites/TON.cif
650
%%DATADIR%%/crystals/zeolites/TSC.cif
651
%%DATADIR%%/crystals/zeolites/TUN.cif
652
%%DATADIR%%/crystals/zeolites/UEI.cif
653
%%DATADIR%%/crystals/zeolites/UFI.cif
654
%%DATADIR%%/crystals/zeolites/UOS.cif
655
%%DATADIR%%/crystals/zeolites/UOZ.cif
656
%%DATADIR%%/crystals/zeolites/USI.cif
657
%%DATADIR%%/crystals/zeolites/UTL.cif
658
%%DATADIR%%/crystals/zeolites/UWY.cif
659
%%DATADIR%%/crystals/zeolites/VET.cif
660
%%DATADIR%%/crystals/zeolites/VFI.cif
661
%%DATADIR%%/crystals/zeolites/VNI.cif
662
%%DATADIR%%/crystals/zeolites/VSV.cif
663
%%DATADIR%%/crystals/zeolites/WEI.cif
664
%%DATADIR%%/crystals/zeolites/WEN.cif
665
%%DATADIR%%/crystals/zeolites/YUG.cif
666
%%DATADIR%%/crystals/zeolites/ZON.cif
667
%%DATADIR%%/crystals/zeolites/ZSM-5.cif
668
%%DATADIR%%/fragments/alcohols/2-aminoethanol.cml
669
%%DATADIR%%/fragments/alcohols/but-2-yne-1_4-diol.cml
670
%%DATADIR%%/fragments/alcohols/cyclohexanol.cml
671
%%DATADIR%%/fragments/alcohols/cyclopentanol.cml
672
%%DATADIR%%/fragments/alcohols/ethane-1_2-diol.cml
146
%%DATADIR%%/fragments/alcohols/ethanol.cml
673
%%DATADIR%%/fragments/alcohols/ethanol.cml
147
%%DATADIR%%/fragments/alcohols/methanol.cml
674
%%DATADIR%%/fragments/alcohols/methanol.cml
148
%%DATADIR%%/fragments/alcohols/propan-1-ol.cml
675
%%DATADIR%%/fragments/alcohols/propan-1-ol.cml
149
%%DATADIR%%/fragments/alcohols/propan-2-ol.cml
676
%%DATADIR%%/fragments/alcohols/propan-2-ol.cml
677
%%DATADIR%%/fragments/alcohols/propane-1_2_3-triol.cml
150
%%DATADIR%%/fragments/aldehydes/acetaldehyde.cml
678
%%DATADIR%%/fragments/aldehydes/acetaldehyde.cml
151
%%DATADIR%%/fragments/aldehydes/formaldehyde.cml
679
%%DATADIR%%/fragments/aldehydes/formaldehyde.cml
152
%%DATADIR%%/fragments/alkanes/2-methylpropane.cml
680
%%DATADIR%%/fragments/alkanes/2-methylpropane.cml
681
%%DATADIR%%/fragments/alkanes/butane.cml
682
%%DATADIR%%/fragments/alkanes/decane.cml
683
%%DATADIR%%/fragments/alkanes/dodecane.cml
684
%%DATADIR%%/fragments/alkanes/eicosane.cml
153
%%DATADIR%%/fragments/alkanes/ethane.cml
685
%%DATADIR%%/fragments/alkanes/ethane.cml
686
%%DATADIR%%/fragments/alkanes/heptane.cml
687
%%DATADIR%%/fragments/alkanes/hexadecane.cml
688
%%DATADIR%%/fragments/alkanes/hexane.cml
154
%%DATADIR%%/fragments/alkanes/methane.cml
689
%%DATADIR%%/fragments/alkanes/methane.cml
690
%%DATADIR%%/fragments/alkanes/nonane.cml
691
%%DATADIR%%/fragments/alkanes/octane.cml
692
%%DATADIR%%/fragments/alkanes/pentadecane.cml
693
%%DATADIR%%/fragments/alkanes/pentane.cml
155
%%DATADIR%%/fragments/alkanes/propane.cml
694
%%DATADIR%%/fragments/alkanes/propane.cml
695
%%DATADIR%%/fragments/alkanes/tetracosane.cml
696
%%DATADIR%%/fragments/alkanes/tetradecane.cml
697
%%DATADIR%%/fragments/alkanes/tridecane.cml
698
%%DATADIR%%/fragments/alkanes/undecane.cml
699
%%DATADIR%%/fragments/alkenes/2-methylbut-2-ene.cml
700
%%DATADIR%%/fragments/alkenes/2-methylbuta-1_3-diene.cml
701
%%DATADIR%%/fragments/alkenes/3E-penta-1_3-diene.cml
702
%%DATADIR%%/fragments/alkenes/3Z-penta-1_3-diene.cml
703
%%DATADIR%%/fragments/alkenes/3Z_3-ethylhepta-1_3-diene.cml
704
%%DATADIR%%/fragments/alkenes/E-but-2-ene.cml
705
%%DATADIR%%/fragments/alkenes/E-hept-2-ene.cml
706
%%DATADIR%%/fragments/alkenes/E-hept-3-ene.cml
707
%%DATADIR%%/fragments/alkenes/E-hex-2-ene.cml
708
%%DATADIR%%/fragments/alkenes/E-hex-3-ene.cml
709
%%DATADIR%%/fragments/alkenes/E-oct-2-ene.cml
710
%%DATADIR%%/fragments/alkenes/E-oct-3-ene.cml
711
%%DATADIR%%/fragments/alkenes/E-oct-4-ene.cml
712
%%DATADIR%%/fragments/alkenes/E-pent-2-ene.cml
713
%%DATADIR%%/fragments/alkenes/Z-but-2-ene.cml
714
%%DATADIR%%/fragments/alkenes/Z-hept-2-ene.cml
715
%%DATADIR%%/fragments/alkenes/Z-hept-3-ene.cml
716
%%DATADIR%%/fragments/alkenes/Z-hex-2-ene.cml
717
%%DATADIR%%/fragments/alkenes/Z-hex-3-ene.cml
718
%%DATADIR%%/fragments/alkenes/Z-oct-2-ene.cml
719
%%DATADIR%%/fragments/alkenes/Z-oct-3-ene.cml
720
%%DATADIR%%/fragments/alkenes/Z-oct-4-ene.cml
721
%%DATADIR%%/fragments/alkenes/Z-pent-2-ene.cml
156
%%DATADIR%%/fragments/alkenes/but-1-ene.cml
722
%%DATADIR%%/fragments/alkenes/but-1-ene.cml
157
%%DATADIR%%/fragments/alkenes/ethene.cml
723
%%DATADIR%%/fragments/alkenes/ethene.cml
724
%%DATADIR%%/fragments/alkenes/hept-1-ene.cml
725
%%DATADIR%%/fragments/alkenes/hex-1-ene.cml
726
%%DATADIR%%/fragments/alkenes/oct-1-ene.cml
727
%%DATADIR%%/fragments/alkenes/pent-1-ene.cml
728
%%DATADIR%%/fragments/alkenes/propene.cml
158
%%DATADIR%%/fragments/alkynes/acetylene.cml
729
%%DATADIR%%/fragments/alkynes/acetylene.cml
159
%%DATADIR%%/fragments/alkynes/propyne.cml
730
%%DATADIR%%/fragments/alkynes/propyne.cml
160
%%DATADIR%%/fragments/amides/N_N-dimethylacetamide.cml
731
%%DATADIR%%/fragments/amides/N_N-dimethylacetamide.cml
Lines 162-171 Link Here
162
%%DATADIR%%/fragments/amides/acetamide.cml
733
%%DATADIR%%/fragments/amides/acetamide.cml
163
%%DATADIR%%/fragments/amides/ethyl_carbamate.cml
734
%%DATADIR%%/fragments/amides/ethyl_carbamate.cml
164
%%DATADIR%%/fragments/amides/oxamide.cml
735
%%DATADIR%%/fragments/amides/oxamide.cml
736
%%DATADIR%%/fragments/amines/1H-azepine.cml
737
%%DATADIR%%/fragments/amines/2-aminopropane.cml
738
%%DATADIR%%/fragments/amines/S-sec-butylamine.cml
165
%%DATADIR%%/fragments/amines/ammonia.cml
739
%%DATADIR%%/fragments/amines/ammonia.cml
166
%%DATADIR%%/fragments/amines/azepane.cml
740
%%DATADIR%%/fragments/amines/azepane.cml
741
%%DATADIR%%/fragments/amines/diethylamine.cml
742
%%DATADIR%%/fragments/amines/dimethylamine.cml
167
%%DATADIR%%/fragments/amines/ethylamine.cml
743
%%DATADIR%%/fragments/amines/ethylamine.cml
168
%%DATADIR%%/fragments/amines/methylamine.cml
744
%%DATADIR%%/fragments/amines/methylamine.cml
745
%%DATADIR%%/fragments/amines/piperazine.cml
746
%%DATADIR%%/fragments/amines/piperidine.cml
747
%%DATADIR%%/fragments/amines/pyrrolidine.cml
748
%%DATADIR%%/fragments/amines/tert-butylamine.cml
749
%%DATADIR%%/fragments/amines/triethylamine.cml
750
%%DATADIR%%/fragments/amines/triethylenediamine.cml
751
%%DATADIR%%/fragments/amines/trimethylamine.cml
169
%%DATADIR%%/fragments/amino_acids/D-alanine.cml
752
%%DATADIR%%/fragments/amino_acids/D-alanine.cml
170
%%DATADIR%%/fragments/amino_acids/D-allo-threonine.cml
753
%%DATADIR%%/fragments/amino_acids/D-allo-threonine.cml
171
%%DATADIR%%/fragments/amino_acids/D-arginine.cml
754
%%DATADIR%%/fragments/amino_acids/D-arginine.cml
Lines 209-227 Link Here
209
%%DATADIR%%/fragments/amino_acids/L-valine.cml
792
%%DATADIR%%/fragments/amino_acids/L-valine.cml
210
%%DATADIR%%/fragments/amino_acids/glycine.cml
793
%%DATADIR%%/fragments/amino_acids/glycine.cml
211
%%DATADIR%%/fragments/aromatics/1H-indene.cml
794
%%DATADIR%%/fragments/aromatics/1H-indene.cml
795
%%DATADIR%%/fragments/aromatics/1H-indole.cml
796
%%DATADIR%%/fragments/aromatics/1_10-phenanthroline.cml
797
%%DATADIR%%/fragments/aromatics/1_8-naphthyridine.cml
798
%%DATADIR%%/fragments/aromatics/2H-chromene.cml
799
%%DATADIR%%/fragments/aromatics/4H-chromene.cml
800
%%DATADIR%%/fragments/aromatics/7H-purine.cml
801
%%DATADIR%%/fragments/aromatics/9H-carbazole.cml
802
%%DATADIR%%/fragments/aromatics/9H-fluorene.cml
803
%%DATADIR%%/fragments/aromatics/9H-xanthene.cml
804
%%DATADIR%%/fragments/aromatics/acenaphthene.cml
805
%%DATADIR%%/fragments/aromatics/acenaphthenequinone.cml
806
%%DATADIR%%/fragments/aromatics/acenaphthylene.cml
807
%%DATADIR%%/fragments/aromatics/acridine.cml
212
%%DATADIR%%/fragments/aromatics/aniline.cml
808
%%DATADIR%%/fragments/aromatics/aniline.cml
213
%%DATADIR%%/fragments/aromatics/anisole.cml
809
%%DATADIR%%/fragments/aromatics/anisole.cml
214
%%DATADIR%%/fragments/aromatics/anthracene.cml
810
%%DATADIR%%/fragments/aromatics/anthracene.cml
215
%%DATADIR%%/fragments/aromatics/benzaldehyde.cml
811
%%DATADIR%%/fragments/aromatics/benzaldehyde.cml
216
%%DATADIR%%/fragments/aromatics/benzene.cml
812
%%DATADIR%%/fragments/aromatics/benzene.cml
813
%%DATADIR%%/fragments/aromatics/benzofuran.cml
217
%%DATADIR%%/fragments/aromatics/benzoic_acid.cml
814
%%DATADIR%%/fragments/aromatics/benzoic_acid.cml
815
%%DATADIR%%/fragments/aromatics/benzothiophene.cml
218
%%DATADIR%%/fragments/aromatics/benzoyl_chloride.cml
816
%%DATADIR%%/fragments/aromatics/benzoyl_chloride.cml
219
%%DATADIR%%/fragments/aromatics/caffeine.cml
817
%%DATADIR%%/fragments/aromatics/caffeine.cml
818
%%DATADIR%%/fragments/aromatics/chromone.cml
819
%%DATADIR%%/fragments/aromatics/cinnoline.cml
820
%%DATADIR%%/fragments/aromatics/coumarin.cml
821
%%DATADIR%%/fragments/aromatics/isoquinoline.cml
220
%%DATADIR%%/fragments/aromatics/naphthalene.cml
822
%%DATADIR%%/fragments/aromatics/naphthalene.cml
221
%%DATADIR%%/fragments/aromatics/nitrobenzene.cml
823
%%DATADIR%%/fragments/aromatics/nitrobenzene.cml
824
%%DATADIR%%/fragments/aromatics/phenanthrene.cml
222
%%DATADIR%%/fragments/aromatics/phenol.cml
825
%%DATADIR%%/fragments/aromatics/phenol.cml
826
%%DATADIR%%/fragments/aromatics/phthalimide.cml
827
%%DATADIR%%/fragments/aromatics/quinazoline.cml
828
%%DATADIR%%/fragments/aromatics/quinoline.cml
829
%%DATADIR%%/fragments/aromatics/tetralin.cml
223
%%DATADIR%%/fragments/aromatics/toluene.cml
830
%%DATADIR%%/fragments/aromatics/toluene.cml
224
%%DATADIR%%/fragments/buckminsterfullerene.cml
831
%%DATADIR%%/fragments/aromatics/uric_acid.cml
225
%%DATADIR%%/fragments/carbamides/urea.cml
832
%%DATADIR%%/fragments/carbamides/urea.cml
226
%%DATADIR%%/fragments/carbohydrates/d-allose.cml
833
%%DATADIR%%/fragments/carbohydrates/d-allose.cml
227
%%DATADIR%%/fragments/carbohydrates/d-altrose.cml
834
%%DATADIR%%/fragments/carbohydrates/d-altrose.cml
Lines 252-257 Link Here
252
%%DATADIR%%/fragments/carboxylic_acids/D-lactic_acid.cml
859
%%DATADIR%%/fragments/carboxylic_acids/D-lactic_acid.cml
253
%%DATADIR%%/fragments/carboxylic_acids/D-malic_acid.cml
860
%%DATADIR%%/fragments/carboxylic_acids/D-malic_acid.cml
254
%%DATADIR%%/fragments/carboxylic_acids/D-tartaric_acid.cml
861
%%DATADIR%%/fragments/carboxylic_acids/D-tartaric_acid.cml
862
%%DATADIR%%/fragments/carboxylic_acids/E-butanoic_acid.cml
863
%%DATADIR%%/fragments/carboxylic_acids/E-butenedioic_acid.cml
255
%%DATADIR%%/fragments/carboxylic_acids/L-ascorbic_acid.cml
864
%%DATADIR%%/fragments/carboxylic_acids/L-ascorbic_acid.cml
256
%%DATADIR%%/fragments/carboxylic_acids/L-lactic_acid.cml
865
%%DATADIR%%/fragments/carboxylic_acids/L-lactic_acid.cml
257
%%DATADIR%%/fragments/carboxylic_acids/L-malic_acid.cml
866
%%DATADIR%%/fragments/carboxylic_acids/L-malic_acid.cml
Lines 270-327 Link Here
270
%%DATADIR%%/fragments/coordination/5-square-pyramidal.cml
879
%%DATADIR%%/fragments/coordination/5-square-pyramidal.cml
271
%%DATADIR%%/fragments/coordination/5-trigonal-bipyramidal.cml
880
%%DATADIR%%/fragments/coordination/5-trigonal-bipyramidal.cml
272
%%DATADIR%%/fragments/coordination/6-octahedral.cml
881
%%DATADIR%%/fragments/coordination/6-octahedral.cml
273
%%DATADIR%%/fragments/cyclic alkanes/adamantane.cml
882
%%DATADIR%%/fragments/cyclic_alkanes/1R-camphene.cml
274
%%DATADIR%%/fragments/cyclic alkanes/cubane.cml
883
%%DATADIR%%/fragments/cyclic_alkanes/1R-camphor.cml
275
%%DATADIR%%/fragments/cyclic alkanes/cyclobutane.cml
884
%%DATADIR%%/fragments/cyclic_alkanes/abietic_acid.cml
276
%%DATADIR%%/fragments/cyclic alkanes/cycloheptane.cml
885
%%DATADIR%%/fragments/cyclic_alkanes/adamantane.cml
277
%%DATADIR%%/fragments/cyclic alkanes/cyclohexane.cml
886
%%DATADIR%%/fragments/cyclic_alkanes/cis-decahydronaphthalene.cml
278
%%DATADIR%%/fragments/cyclic alkanes/cyclopentane.cml
887
%%DATADIR%%/fragments/cyclic_alkanes/cubane.cml
279
%%DATADIR%%/fragments/cyclic alkanes/cyclopropane.cml
888
%%DATADIR%%/fragments/cyclic_alkanes/cyclobutane.cml
280
%%DATADIR%%/fragments/cyclic alkanes/norbornane.cml
889
%%DATADIR%%/fragments/cyclic_alkanes/cyclodecane.cml
281
%%DATADIR%%/fragments/cyclic sugars/alpha-D-allopyranose.cml
890
%%DATADIR%%/fragments/cyclic_alkanes/cycloheptane.cml
282
%%DATADIR%%/fragments/cyclic sugars/alpha-D-arabinopyranose.cml
891
%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane-chair.cml
283
%%DATADIR%%/fragments/cyclic sugars/alpha-D-fucopyranose.cml
892
%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane-twist-boat.cml
284
%%DATADIR%%/fragments/cyclic sugars/alpha-D-galactopyranose.cml
893
%%DATADIR%%/fragments/cyclic_alkanes/cyclohexane.cml
285
%%DATADIR%%/fragments/cyclic sugars/alpha-D-galacturonopyranose.cml
894
%%DATADIR%%/fragments/cyclic_alkanes/cyclononane.cml
286
%%DATADIR%%/fragments/cyclic sugars/alpha-D-glucopyranose.cml
895
%%DATADIR%%/fragments/cyclic_alkanes/cyclooctane.cml
287
%%DATADIR%%/fragments/cyclic sugars/alpha-D-glucuronopyranose.cml
896
%%DATADIR%%/fragments/cyclic_alkanes/cyclopentane.cml
288
%%DATADIR%%/fragments/cyclic sugars/alpha-D-gulopyranose.cml
897
%%DATADIR%%/fragments/cyclic_alkanes/cyclopropane.cml
289
%%DATADIR%%/fragments/cyclic sugars/alpha-D-idopyranose.cml
898
%%DATADIR%%/fragments/cyclic_alkanes/norbornane.cml
290
%%DATADIR%%/fragments/cyclic sugars/alpha-D-lyxopyranose.cml
899
%%DATADIR%%/fragments/cyclic_alkanes/trans-decahydronaphthalene.cml
291
%%DATADIR%%/fragments/cyclic sugars/alpha-D-mannopyranose.cml
900
%%DATADIR%%/fragments/cyclic_alkenes/Z-cycloheptene.cml
292
%%DATADIR%%/fragments/cyclic sugars/alpha-D-psicopyranose.cml
901
%%DATADIR%%/fragments/cyclic_alkenes/Z-cyclooctene.cml
293
%%DATADIR%%/fragments/cyclic sugars/alpha-D-rhamnopyranose.cml
902
%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_3-diene.cml
294
%%DATADIR%%/fragments/cyclic sugars/alpha-D-ribopyranose.cml
903
%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_3_5-triene.cml
295
%%DATADIR%%/fragments/cyclic sugars/alpha-D-tagatopyranose.cml
904
%%DATADIR%%/fragments/cyclic_alkenes/cyclohepta-1_4-diene.cml
296
%%DATADIR%%/fragments/cyclic sugars/alpha-D-talopyranose.cml
905
%%DATADIR%%/fragments/cyclic_alkenes/cyclohexa-1_3-diene.cml
297
%%DATADIR%%/fragments/cyclic sugars/alpha-D-xylopyranose.cml
906
%%DATADIR%%/fragments/cyclic_alkenes/cyclohexa-1_4-diene.cml
298
%%DATADIR%%/fragments/cyclic sugars/alpha-L-arabinopyranose.cml
907
%%DATADIR%%/fragments/cyclic_alkenes/cyclohexene.cml
299
%%DATADIR%%/fragments/cyclic sugars/alpha-L-fucopyranose.cml
908
%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3-diene.cml
300
%%DATADIR%%/fragments/cyclic sugars/alpha-L-galactopyranose.cml
909
%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3_5-triene.cml
301
%%DATADIR%%/fragments/cyclic sugars/alpha-L-lyxopyranose.cml
910
%%DATADIR%%/fragments/cyclic_alkenes/cycloocta-1_3_5_7-tetraene.cml
302
%%DATADIR%%/fragments/cyclic sugars/alpha-L-rhamnopyranose.cml
911
%%DATADIR%%/fragments/cyclic_alkenes/cyclopenta-1_3-diene.cml
303
%%DATADIR%%/fragments/cyclic sugars/alpha-L-ribopyranose.cml
912
%%DATADIR%%/fragments/cyclic_alkenes/cyclopentene.cml
304
%%DATADIR%%/fragments/cyclic sugars/alpha-L-sorbopyranose.cml
913
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-allopyranose.cml
305
%%DATADIR%%/fragments/cyclic sugars/alpha-L-xylopyranose.cml
914
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-arabinopyranose.cml
306
%%DATADIR%%/fragments/cyclic sugars/beta-D-allopyranose.cml
915
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-fucopyranose.cml
307
%%DATADIR%%/fragments/cyclic sugars/beta-D-arabinopyranose.cml
916
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-galactopyranose.cml
308
%%DATADIR%%/fragments/cyclic sugars/beta-D-fructopyranose.cml
917
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-galacturonopyranose.cml
309
%%DATADIR%%/fragments/cyclic sugars/beta-D-fucopyranose.cml
918
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-glucopyranose.cml
310
%%DATADIR%%/fragments/cyclic sugars/beta-D-galactopyranose.cml
919
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-glucuronopyranose.cml
311
%%DATADIR%%/fragments/cyclic sugars/beta-D-glucopyranose.cml
920
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-gulopyranose.cml
312
%%DATADIR%%/fragments/cyclic sugars/beta-D-gulopyranose.cml
921
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-idopyranose.cml
313
%%DATADIR%%/fragments/cyclic sugars/beta-D-idopyranose.cml
922
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-lyxopyranose.cml
314
%%DATADIR%%/fragments/cyclic sugars/beta-D-lyxopyranose.cml
923
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-mannopyranose.cml
315
%%DATADIR%%/fragments/cyclic sugars/beta-D-mannopyranose.cml
924
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-psicopyranose.cml
316
%%DATADIR%%/fragments/cyclic sugars/beta-D-rhamnopyranose.cml
925
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-rhamnopyranose.cml
317
%%DATADIR%%/fragments/cyclic sugars/beta-D-ribopyranose.cml
926
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-ribopyranose.cml
318
%%DATADIR%%/fragments/cyclic sugars/beta-D-tagatopyranose.cml
927
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-tagatopyranose.cml
319
%%DATADIR%%/fragments/cyclic sugars/beta-D-talopyranose.cml
928
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-talopyranose.cml
320
%%DATADIR%%/fragments/cyclic sugars/beta-D-xylopyranose.cml
929
%%DATADIR%%/fragments/cyclic_sugars/alpha-D-xylopyranose.cml
321
%%DATADIR%%/fragments/cyclic sugars/beta-L-arabinopyranose.cml
930
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-arabinopyranose.cml
322
%%DATADIR%%/fragments/cyclic sugars/beta-L-lyxopyranose.cml
931
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-fucopyranose.cml
323
%%DATADIR%%/fragments/cyclic sugars/beta-L-ribopyranose.cml
932
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-galactopyranose.cml
324
%%DATADIR%%/fragments/cyclic sugars/beta-L-xylopyranose.cml
933
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-lyxopyranose.cml
934
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-rhamnopyranose.cml
935
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-ribopyranose.cml
936
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-sorbopyranose.cml
937
%%DATADIR%%/fragments/cyclic_sugars/alpha-L-xylopyranose.cml
938
%%DATADIR%%/fragments/cyclic_sugars/beta-D-allopyranose.cml
939
%%DATADIR%%/fragments/cyclic_sugars/beta-D-arabinopyranose.cml
940
%%DATADIR%%/fragments/cyclic_sugars/beta-D-fructopyranose.cml
941
%%DATADIR%%/fragments/cyclic_sugars/beta-D-fucopyranose.cml
942
%%DATADIR%%/fragments/cyclic_sugars/beta-D-galactopyranose.cml
943
%%DATADIR%%/fragments/cyclic_sugars/beta-D-glucopyranose.cml
944
%%DATADIR%%/fragments/cyclic_sugars/beta-D-gulopyranose.cml
945
%%DATADIR%%/fragments/cyclic_sugars/beta-D-idopyranose.cml
946
%%DATADIR%%/fragments/cyclic_sugars/beta-D-lyxopyranose.cml
947
%%DATADIR%%/fragments/cyclic_sugars/beta-D-mannopyranose.cml
948
%%DATADIR%%/fragments/cyclic_sugars/beta-D-rhamnopyranose.cml
949
%%DATADIR%%/fragments/cyclic_sugars/beta-D-ribopyranose.cml
950
%%DATADIR%%/fragments/cyclic_sugars/beta-D-tagatopyranose.cml
951
%%DATADIR%%/fragments/cyclic_sugars/beta-D-talopyranose.cml
952
%%DATADIR%%/fragments/cyclic_sugars/beta-D-xylopyranose.cml
953
%%DATADIR%%/fragments/cyclic_sugars/beta-L-arabinopyranose.cml
954
%%DATADIR%%/fragments/cyclic_sugars/beta-L-lyxopyranose.cml
955
%%DATADIR%%/fragments/cyclic_sugars/beta-L-ribopyranose.cml
956
%%DATADIR%%/fragments/cyclic_sugars/beta-L-xylopyranose.cml
957
%%DATADIR%%/fragments/ethers/1_4-dioxane.cml
325
%%DATADIR%%/fragments/ethers/di-tert-butylether.cml
958
%%DATADIR%%/fragments/ethers/di-tert-butylether.cml
326
%%DATADIR%%/fragments/ethers/dibutylether.cml
959
%%DATADIR%%/fragments/ethers/dibutylether.cml
327
%%DATADIR%%/fragments/ethers/diethylether.cml
960
%%DATADIR%%/fragments/ethers/diethylether.cml
Lines 330-343 Link Here
330
%%DATADIR%%/fragments/ethers/dipropylether.cml
963
%%DATADIR%%/fragments/ethers/dipropylether.cml
331
%%DATADIR%%/fragments/ethers/ethylmethylether.cml
964
%%DATADIR%%/fragments/ethers/ethylmethylether.cml
332
%%DATADIR%%/fragments/ethers/tetrahydrofuran.cml
965
%%DATADIR%%/fragments/ethers/tetrahydrofuran.cml
333
%%DATADIR%%/fragments/fatty acids/decanoic_acid.cml
966
%%DATADIR%%/fragments/ethers/tetrahydropyran.cml
334
%%DATADIR%%/fragments/fatty acids/hexanoic_acid.cml
967
%%DATADIR%%/fragments/fatty_acids/arachidonic_acid.cml
335
%%DATADIR%%/fragments/fatty acids/lauric_acid.cml
968
%%DATADIR%%/fragments/fatty_acids/cervonic_acid.cml
336
%%DATADIR%%/fragments/fatty acids/linoleic_acid.cml
969
%%DATADIR%%/fragments/fatty_acids/decanoic_acid.cml
337
%%DATADIR%%/fragments/fatty acids/octanoic_acid.cml
970
%%DATADIR%%/fragments/fatty_acids/hexanoic_acid.cml
338
%%DATADIR%%/fragments/fatty acids/oleic_acid.cml
971
%%DATADIR%%/fragments/fatty_acids/lauric_acid.cml
339
%%DATADIR%%/fragments/fatty acids/palmitic_acid.cml
972
%%DATADIR%%/fragments/fatty_acids/linoleic_acid.cml
340
%%DATADIR%%/fragments/fatty acids/stearic_acid.cml
973
%%DATADIR%%/fragments/fatty_acids/linolenic_acid.cml
974
%%DATADIR%%/fragments/fatty_acids/myristic_acid.cml
975
%%DATADIR%%/fragments/fatty_acids/octanoic_acid.cml
976
%%DATADIR%%/fragments/fatty_acids/oleic_acid.cml
977
%%DATADIR%%/fragments/fatty_acids/palmitic_acid.cml
978
%%DATADIR%%/fragments/fatty_acids/pentanoic_acid.cml
979
%%DATADIR%%/fragments/fatty_acids/stearic_acid.cml
980
%%DATADIR%%/fragments/fullerenes/C180.cml
981
%%DATADIR%%/fragments/fullerenes/C20.cml
982
%%DATADIR%%/fragments/fullerenes/C24.cml
983
%%DATADIR%%/fragments/fullerenes/C240.cml
984
%%DATADIR%%/fragments/fullerenes/C26.cml
985
%%DATADIR%%/fragments/fullerenes/C28.cml
986
%%DATADIR%%/fragments/fullerenes/C30.cml
987
%%DATADIR%%/fragments/fullerenes/C32.cml
988
%%DATADIR%%/fragments/fullerenes/C36.cml
989
%%DATADIR%%/fragments/fullerenes/C50.cml
990
%%DATADIR%%/fragments/fullerenes/C60-buckminsterfullerene.cml
991
%%DATADIR%%/fragments/fullerenes/C70.cml
992
%%DATADIR%%/fragments/fullerenes/C76.cml
993
%%DATADIR%%/fragments/fullerenes/C78.cml
994
%%DATADIR%%/fragments/fullerenes/C80.cml
995
%%DATADIR%%/fragments/fullerenes/PC70BM.cml
996
%%DATADIR%%/fragments/fullerenes/PCBM.cml
341
%%DATADIR%%/fragments/heteroaromatics/1H-indole.cml
997
%%DATADIR%%/fragments/heteroaromatics/1H-indole.cml
342
%%DATADIR%%/fragments/heteroaromatics/1H-pyrazole.cml
998
%%DATADIR%%/fragments/heteroaromatics/1H-pyrazole.cml
343
%%DATADIR%%/fragments/heteroaromatics/1H-pyrrole.cml
999
%%DATADIR%%/fragments/heteroaromatics/1H-pyrrole.cml
Lines 348-358 Link Here
348
%%DATADIR%%/fragments/heteroaromatics/benzofuran.cml
1004
%%DATADIR%%/fragments/heteroaromatics/benzofuran.cml
349
%%DATADIR%%/fragments/heteroaromatics/benzothiophene.cml
1005
%%DATADIR%%/fragments/heteroaromatics/benzothiophene.cml
350
%%DATADIR%%/fragments/heteroaromatics/furan.cml
1006
%%DATADIR%%/fragments/heteroaromatics/furan.cml
1007
%%DATADIR%%/fragments/heteroaromatics/isonicotinamide.cml
1008
%%DATADIR%%/fragments/heteroaromatics/isonicotinic_acid.cml
1009
%%DATADIR%%/fragments/heteroaromatics/nicotinamide.cml
1010
%%DATADIR%%/fragments/heteroaromatics/nicotinic_acid.cml
1011
%%DATADIR%%/fragments/heteroaromatics/picolinamide.cml
1012
%%DATADIR%%/fragments/heteroaromatics/picolinic_acid.cml
351
%%DATADIR%%/fragments/heteroaromatics/pyridine.cml
1013
%%DATADIR%%/fragments/heteroaromatics/pyridine.cml
352
%%DATADIR%%/fragments/heteroaromatics/thiophene.cml
1014
%%DATADIR%%/fragments/heteroaromatics/thiophene.cml
353
%%DATADIR%%/fragments/ketones/acetone.cml
1015
%%DATADIR%%/fragments/ketones/acetone.cml
354
%%DATADIR%%/fragments/ketones/butanone.cml
1016
%%DATADIR%%/fragments/ketones/butanone.cml
1017
%%DATADIR%%/fragments/ketones/cyclohexanone.cml
1018
%%DATADIR%%/fragments/ketones/methyl_vinyl_ketone.cml
1019
%%DATADIR%%/fragments/ketones/p-benzoquinone.cml
1020
%%DATADIR%%/fragments/ligands/Cp-cyclopentadienyl.cml
1021
%%DATADIR%%/fragments/macrocycles/phthalocyanine.cml
355
%%DATADIR%%/fragments/macrocycles/porphin.cml
1022
%%DATADIR%%/fragments/macrocycles/porphin.cml
1023
%%DATADIR%%/fragments/nitriles/1_1_1-trichloroacetonitrile.cml
1024
%%DATADIR%%/fragments/nitriles/acetonitrile.cml
1025
%%DATADIR%%/fragments/nitriles/butyronitrile.cml
1026
%%DATADIR%%/fragments/nitriles/isobutyronitrile.cml
1027
%%DATADIR%%/fragments/nitriles/propionitrile.cml
356
%%DATADIR%%/fragments/nucleobases/adenine.cml
1028
%%DATADIR%%/fragments/nucleobases/adenine.cml
357
%%DATADIR%%/fragments/nucleobases/cytosine.cml
1029
%%DATADIR%%/fragments/nucleobases/cytosine.cml
358
%%DATADIR%%/fragments/nucleobases/guanine.cml
1030
%%DATADIR%%/fragments/nucleobases/guanine.cml
Lines 362-370 Link Here
362
%%DATADIR%%/fragments/steroids/estradiol.cml
1034
%%DATADIR%%/fragments/steroids/estradiol.cml
363
%%DATADIR%%/fragments/steroids/testosterone.cml
1035
%%DATADIR%%/fragments/steroids/testosterone.cml
364
%%DATADIR%%/fragments/sulfoxides/dimethyl_sulfoxide.cml
1036
%%DATADIR%%/fragments/sulfoxides/dimethyl_sulfoxide.cml
1037
%%DATADIR%%/fragments/thiols/2-methylproprane-2-thiol.cml
1038
%%DATADIR%%/fragments/thiols/R_butane-2-thiol.cml
1039
%%DATADIR%%/fragments/thiols/butane-1-thiol.cml
1040
%%DATADIR%%/fragments/thiols/ethane-1_2-dithiol.cml
365
%%DATADIR%%/fragments/thiols/ethanethiol.cml
1041
%%DATADIR%%/fragments/thiols/ethanethiol.cml
1042
%%DATADIR%%/fragments/thiols/heptane-1-thiol.cml
1043
%%DATADIR%%/fragments/thiols/hexane-1-thiol.cml
366
%%DATADIR%%/fragments/thiols/methanethiol.cml
1044
%%DATADIR%%/fragments/thiols/methanethiol.cml
1045
%%DATADIR%%/fragments/thiols/octane-1-thiol.cml
367
%%DATADIR%%/fragments/thiols/pentane-1-thiol.cml
1046
%%DATADIR%%/fragments/thiols/pentane-1-thiol.cml
1047
%%DATADIR%%/fragments/thiols/proprane-1-thiol.cml
1048
%%DATADIR%%/fragments/thiols/proprane-2-thiol.cml
368
%%DATADIR%%/fragments/water.cml
1049
%%DATADIR%%/fragments/water.cml
369
%%DATADIR%%/i18n/avogadro_af.qm
1050
%%DATADIR%%/i18n/avogadro_af.qm
370
%%DATADIR%%/i18n/avogadro_ar.qm
1051
%%DATADIR%%/i18n/avogadro_ar.qm
Lines 451-456 Link Here
451
%%DATADIR%%/i18n/libavogadro_zh_TW.qm
1132
%%DATADIR%%/i18n/libavogadro_zh_TW.qm
452
%%PYTHON%%share/libavogadro/engineScripts/wireframe.py
1133
%%PYTHON%%share/libavogadro/engineScripts/wireframe.py
453
%%PYTHON%%share/libavogadro/extensionScripts/example.py
1134
%%PYTHON%%share/libavogadro/extensionScripts/example.py
1135
share/pixmaps/avogadro-icon.png
454
share/qt4/mkspecs/features/avogadro.prf
1136
share/qt4/mkspecs/features/avogadro.prf
455
%%PYTHON%%@dirrm share/libavogadro/extensionScripts
1137
%%PYTHON%%@dirrm share/libavogadro/extensionScripts
456
%%PYTHON%%@dirrm share/libavogadro/engineScripts
1138
%%PYTHON%%@dirrm share/libavogadro/engineScripts
Lines 460-472 Link Here
460
@dirrm %%DATADIR%%/fragments/sulfoxides
1142
@dirrm %%DATADIR%%/fragments/sulfoxides
461
@dirrm %%DATADIR%%/fragments/steroids
1143
@dirrm %%DATADIR%%/fragments/steroids
462
@dirrm %%DATADIR%%/fragments/nucleobases
1144
@dirrm %%DATADIR%%/fragments/nucleobases
1145
@dirrm %%DATADIR%%/fragments/nitriles
463
@dirrm %%DATADIR%%/fragments/macrocycles
1146
@dirrm %%DATADIR%%/fragments/macrocycles
1147
@dirrm %%DATADIR%%/fragments/ligands
464
@dirrm %%DATADIR%%/fragments/ketones
1148
@dirrm %%DATADIR%%/fragments/ketones
465
@dirrm %%DATADIR%%/fragments/heteroaromatics
1149
@dirrm %%DATADIR%%/fragments/heteroaromatics
466
@dirrm %%DATADIR%%/fragments/fatty acids
1150
@dirrm %%DATADIR%%/fragments/fullerenes
1151
@dirrm %%DATADIR%%/fragments/fatty_acids
467
@dirrm %%DATADIR%%/fragments/ethers
1152
@dirrm %%DATADIR%%/fragments/ethers
468
@dirrm %%DATADIR%%/fragments/cyclic sugars
1153
@dirrm %%DATADIR%%/fragments/cyclic_sugars
469
@dirrm %%DATADIR%%/fragments/cyclic alkanes
1154
@dirrm %%DATADIR%%/fragments/cyclic_alkenes
1155
@dirrm %%DATADIR%%/fragments/cyclic_alkanes
470
@dirrm %%DATADIR%%/fragments/coordination
1156
@dirrm %%DATADIR%%/fragments/coordination
471
@dirrm %%DATADIR%%/fragments/carboxylic_acids
1157
@dirrm %%DATADIR%%/fragments/carboxylic_acids
472
@dirrm %%DATADIR%%/fragments/carbohydrates
1158
@dirrm %%DATADIR%%/fragments/carbohydrates
Lines 481-494 Link Here
481
@dirrm %%DATADIR%%/fragments/aldehydes
1167
@dirrm %%DATADIR%%/fragments/aldehydes
482
@dirrm %%DATADIR%%/fragments/alcohols
1168
@dirrm %%DATADIR%%/fragments/alcohols
483
@dirrm %%DATADIR%%/fragments
1169
@dirrm %%DATADIR%%/fragments
1170
@dirrm %%DATADIR%%/crystals/zeolites
1171
@dirrm %%DATADIR%%/crystals/titanates
1172
@dirrm %%DATADIR%%/crystals/telurides
1173
@dirrm %%DATADIR%%/crystals/sulfides
1174
@dirrm %%DATADIR%%/crystals/sulfates
1175
@dirrm %%DATADIR%%/crystals/silicates
1176
@dirrm %%DATADIR%%/crystals/selenides
1177
@dirrm %%DATADIR%%/crystals/phosphides
1178
@dirrm %%DATADIR%%/crystals/oxides
1179
@dirrm %%DATADIR%%/crystals/other
1180
@dirrm %%DATADIR%%/crystals/nitrides
1181
@dirrm %%DATADIR%%/crystals/intermetallics
1182
@dirrm %%DATADIR%%/crystals/ice
1183
@dirrm %%DATADIR%%/crystals/hydroxides
1184
@dirrm %%DATADIR%%/crystals/hydrides
1185
@dirrm %%DATADIR%%/crystals/halides
1186
@dirrm %%DATADIR%%/crystals/elements
1187
@dirrm %%DATADIR%%/crystals/clays
1188
@dirrm %%DATADIR%%/crystals/carbonates
1189
@dirrm %%DATADIR%%/crystals/carbides
1190
@dirrm %%DATADIR%%/crystals/arsenides
1191
@dirrm %%DATADIR%%/crystals/antimonides
1192
@dirrm %%DATADIR%%/crystals
484
@dirrm %%DATADIR%%/builder/amino
1193
@dirrm %%DATADIR%%/builder/amino
485
@dirrm %%DATADIR%%/builder
1194
@dirrm %%DATADIR%%/builder
486
@dirrm %%DATADIR%%
1195
@dirrm %%DATADIR%%
487
@dirrm lib/avogadro/1_0/tools
1196
@dirrmtry share/applications
488
@dirrm lib/avogadro/1_0/extensions
1197
@dirrm lib/avogadro/1_1/tools
489
@dirrm lib/avogadro/1_0/engines
1198
@dirrm lib/avogadro/1_1/extensions
490
@dirrm lib/avogadro/1_0/colors
1199
@dirrm lib/avogadro/1_1/engines
491
@dirrm lib/avogadro/1_0/cmake
1200
@dirrm lib/avogadro/1_1/colors
492
@dirrm lib/avogadro/1_0
1201
@dirrm lib/avogadro/1_1/cmake
1202
@dirrm lib/avogadro/1_1
493
@dirrm lib/avogadro
1203
@dirrm lib/avogadro
494
@dirrm include/avogadro
1204
@dirrm include/avogadro

Return to bug 177935