Lines 14-19
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14 |
bin/minimize |
14 |
bin/minimize |
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bin/minirot |
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bin/minirot |
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bin/minrigid |
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bin/minrigid |
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bin/monte |
17 |
bin/newton |
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bin/newton |
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bin/newtrot |
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bin/newtrot |
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bin/nucleic |
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bin/nucleic |
Lines 143-162
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143 |
%%PORTDOCS%%share/tinker/bench/results-3.7 |
144 |
%%PORTDOCS%%share/tinker/bench/results-3.7 |
144 |
%%PORTDOCS%%share/tinker/bench/results-3.8 |
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%%PORTDOCS%%share/tinker/bench/results-3.8 |
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%%PORTDOCS%%share/tinker/bench/results-3.9 |
146 |
%%PORTDOCS%%share/tinker/bench/results-3.9 |
146 |
%%PORTDOCS%%share/tinker/params/README |
147 |
share/tinker/params/README |
147 |
%%PORTDOCS%%share/tinker/params/amber.prm |
148 |
share/tinker/params/amber.prm |
148 |
%%PORTDOCS%%share/tinker/params/charmm.prm |
149 |
share/tinker/params/charmm.prm |
149 |
%%PORTDOCS%%share/tinker/params/dudek.prm |
150 |
share/tinker/params/hoch.prm |
150 |
%%PORTDOCS%%share/tinker/params/hoch.prm |
151 |
share/tinker/params/mm2.prm |
151 |
%%PORTDOCS%%share/tinker/params/mm2.prm |
152 |
share/tinker/params/mm3.prm |
152 |
%%PORTDOCS%%share/tinker/params/mm3.prm |
153 |
share/tinker/params/mm3pro.prm |
153 |
%%PORTDOCS%%share/tinker/params/mm3pro.prm |
154 |
share/tinker/params/opls.prm |
154 |
%%PORTDOCS%%share/tinker/params/opls.prm |
155 |
share/tinker/params/oplsaa.prm |
155 |
%%PORTDOCS%%share/tinker/params/oplsaa.prm |
156 |
share/tinker/params/smooth.prm |
156 |
%%PORTDOCS%%share/tinker/params/smooth.prm |
157 |
share/tinker/params/smoothaa.prm |
157 |
%%PORTDOCS%%share/tinker/params/smoothaa.prm |
158 |
share/tinker/params/water.prm |
158 |
%%PORTDOCS%%share/tinker/params/water.prm |
159 |
share/tinker/rasmol/rasmol.hlp |
159 |
%%PORTDOCS%%share/tinker/rasmol/rasmol.hlp |
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%%PORTDOCS%%share/tinker/test/README |
160 |
%%PORTDOCS%%share/tinker/test/README |
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%%PORTDOCS%%share/tinker/test/ala20.key |
161 |
%%PORTDOCS%%share/tinker/test/ala20.key |
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%%PORTDOCS%%share/tinker/test/ala20.xyz |
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%%PORTDOCS%%share/tinker/test/ala20.xyz |
Lines 187-192
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%%PORTDOCS%%share/tinker/test/bowl2.xyz |
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%%PORTDOCS%%share/tinker/test/bowl2.xyz |
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%%PORTDOCS%%share/tinker/test/bowl3.key |
188 |
%%PORTDOCS%%share/tinker/test/bowl3.key |
189 |
%%PORTDOCS%%share/tinker/test/bowl3.xyz |
189 |
%%PORTDOCS%%share/tinker/test/bowl3.xyz |
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190 |
%%PORTDOCS%%share/tinker/test/bucky.int |
191 |
%%PORTDOCS%%share/tinker/test/bucky.key |
192 |
%%PORTDOCS%%share/tinker/test/bucky.xyz |
190 |
%%PORTDOCS%%share/tinker/test/butane.int |
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%%PORTDOCS%%share/tinker/test/butane.int |
191 |
%%PORTDOCS%%share/tinker/test/butane.key |
194 |
%%PORTDOCS%%share/tinker/test/butane.key |
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%%PORTDOCS%%share/tinker/test/butane.xyz |
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%%PORTDOCS%%share/tinker/test/butane.xyz |
Lines 207-218
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%%PORTDOCS%%share/tinker/test/c5.key |
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%%PORTDOCS%%share/tinker/test/c5.key |
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%%PORTDOCS%%share/tinker/test/c5.seq |
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%%PORTDOCS%%share/tinker/test/c5.seq |
209 |
%%PORTDOCS%%share/tinker/test/c5.xyz |
212 |
%%PORTDOCS%%share/tinker/test/c5.xyz |
210 |
%%PORTDOCS%%share/tinker/test/c7ax.key |
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%%PORTDOCS%%share/tinker/test/c7a.key |
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%%PORTDOCS%%share/tinker/test/c7ax.seq |
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%%PORTDOCS%%share/tinker/test/c7a.seq |
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%%PORTDOCS%%share/tinker/test/c7ax.xyz |
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%%PORTDOCS%%share/tinker/test/c7a.xyz |
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%%PORTDOCS%%share/tinker/test/c7eq.key |
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%%PORTDOCS%%share/tinker/test/c7e.key |
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%%PORTDOCS%%share/tinker/test/c7eq.seq |
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%%PORTDOCS%%share/tinker/test/c7e.seq |
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%%PORTDOCS%%share/tinker/test/c7eq.xyz |
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%%PORTDOCS%%share/tinker/test/c7e.xyz |
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%%PORTDOCS%%share/tinker/test/calmodulin.key |
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%%PORTDOCS%%share/tinker/test/calmodulin.key |
217 |
%%PORTDOCS%%share/tinker/test/calmodulin.pdb |
220 |
%%PORTDOCS%%share/tinker/test/calmodulin.pdb |
218 |
%%PORTDOCS%%share/tinker/test/calmodulin.seq |
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%%PORTDOCS%%share/tinker/test/calmodulin.seq |
Lines 250-255
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%%PORTDOCS%%share/tinker/test/diene.xyz |
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%%PORTDOCS%%share/tinker/test/diene.xyz |
251 |
%%PORTDOCS%%share/tinker/test/dimethane.key |
254 |
%%PORTDOCS%%share/tinker/test/dimethane.key |
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%%PORTDOCS%%share/tinker/test/dimethane.xyz |
255 |
%%PORTDOCS%%share/tinker/test/dimethane.xyz |
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%%PORTDOCS%%share/tinker/test/diwater.key |
257 |
%%PORTDOCS%%share/tinker/test/diwater.lin |
258 |
%%PORTDOCS%%share/tinker/test/diwater.xyz |
253 |
%%PORTDOCS%%share/tinker/test/enkephalin.int |
259 |
%%PORTDOCS%%share/tinker/test/enkephalin.int |
254 |
%%PORTDOCS%%share/tinker/test/enkephalin.key |
260 |
%%PORTDOCS%%share/tinker/test/enkephalin.key |
255 |
%%PORTDOCS%%share/tinker/test/enkephalin.make |
261 |
%%PORTDOCS%%share/tinker/test/enkephalin.make |
Lines 276-281
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276 |
%%PORTDOCS%%share/tinker/test/form.xyz |
282 |
%%PORTDOCS%%share/tinker/test/form.xyz |
277 |
%%PORTDOCS%%share/tinker/test/formbig.key |
283 |
%%PORTDOCS%%share/tinker/test/formbig.key |
278 |
%%PORTDOCS%%share/tinker/test/formbig.xyz |
284 |
%%PORTDOCS%%share/tinker/test/formbig.xyz |
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%%PORTDOCS%%share/tinker/test/formbox.dyn |
279 |
%%PORTDOCS%%share/tinker/test/formbox.key |
286 |
%%PORTDOCS%%share/tinker/test/formbox.key |
280 |
%%PORTDOCS%%share/tinker/test/formbox.xyz |
287 |
%%PORTDOCS%%share/tinker/test/formbox.xyz |
281 |
%%PORTDOCS%%share/tinker/test/furan.int |
288 |
%%PORTDOCS%%share/tinker/test/furan.int |
Lines 297-302
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297 |
%%PORTDOCS%%share/tinker/test/hexanes.key |
304 |
%%PORTDOCS%%share/tinker/test/hexanes.key |
298 |
%%PORTDOCS%%share/tinker/test/hexanes.run |
305 |
%%PORTDOCS%%share/tinker/test/hexanes.run |
299 |
%%PORTDOCS%%share/tinker/test/hexanes.xyz |
306 |
%%PORTDOCS%%share/tinker/test/hexanes.xyz |
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307 |
%%PORTDOCS%%share/tinker/test/hexanex.xyz |
300 |
%%PORTDOCS%%share/tinker/test/imidazole.int |
308 |
%%PORTDOCS%%share/tinker/test/imidazole.int |
301 |
%%PORTDOCS%%share/tinker/test/imidazole.key |
309 |
%%PORTDOCS%%share/tinker/test/imidazole.key |
302 |
%%PORTDOCS%%share/tinker/test/imidazole.xyz |
310 |
%%PORTDOCS%%share/tinker/test/imidazole.xyz |
Lines 305-314
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305 |
%%PORTDOCS%%share/tinker/test/imine.xyz |
313 |
%%PORTDOCS%%share/tinker/test/imine.xyz |
306 |
%%PORTDOCS%%share/tinker/test/lactam.key |
314 |
%%PORTDOCS%%share/tinker/test/lactam.key |
307 |
%%PORTDOCS%%share/tinker/test/lactam.xyz |
315 |
%%PORTDOCS%%share/tinker/test/lactam.xyz |
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316 |
%%PORTDOCS%%share/tinker/test/lipid.key |
317 |
%%PORTDOCS%%share/tinker/test/lipid.xyz |
308 |
%%PORTDOCS%%share/tinker/test/melittin.key |
318 |
%%PORTDOCS%%share/tinker/test/melittin.key |
309 |
%%PORTDOCS%%share/tinker/test/melittin.pdb |
319 |
%%PORTDOCS%%share/tinker/test/melittin.pdb |
310 |
%%PORTDOCS%%share/tinker/test/melittin.seq |
320 |
%%PORTDOCS%%share/tinker/test/melittin.seq |
311 |
%%PORTDOCS%%share/tinker/test/melittin.xyz |
321 |
%%PORTDOCS%%share/tinker/test/melittin.xyz |
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322 |
%%PORTDOCS%%share/tinker/test/membrane.key |
323 |
%%PORTDOCS%%share/tinker/test/membrane.xyz |
312 |
%%PORTDOCS%%share/tinker/test/methane.int |
324 |
%%PORTDOCS%%share/tinker/test/methane.int |
313 |
%%PORTDOCS%%share/tinker/test/methane.key |
325 |
%%PORTDOCS%%share/tinker/test/methane.key |
314 |
%%PORTDOCS%%share/tinker/test/methane.xyz |
326 |
%%PORTDOCS%%share/tinker/test/methane.xyz |
Lines 319-324
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319 |
%%PORTDOCS%%share/tinker/test/naphthalene.int |
331 |
%%PORTDOCS%%share/tinker/test/naphthalene.int |
320 |
%%PORTDOCS%%share/tinker/test/naphthalene.key |
332 |
%%PORTDOCS%%share/tinker/test/naphthalene.key |
321 |
%%PORTDOCS%%share/tinker/test/naphthalene.xyz |
333 |
%%PORTDOCS%%share/tinker/test/naphthalene.xyz |
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334 |
%%PORTDOCS%%share/tinker/test/nitrogen.dyn |
335 |
%%PORTDOCS%%share/tinker/test/nitrogen.key |
336 |
%%PORTDOCS%%share/tinker/test/nitrogen.xyz |
322 |
%%PORTDOCS%%share/tinker/test/nma.int |
337 |
%%PORTDOCS%%share/tinker/test/nma.int |
323 |
%%PORTDOCS%%share/tinker/test/nma.key |
338 |
%%PORTDOCS%%share/tinker/test/nma.key |
324 |
%%PORTDOCS%%share/tinker/test/nma.xyz |
339 |
%%PORTDOCS%%share/tinker/test/nma.xyz |
Lines 347-352
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347 |
%%PORTDOCS%%share/tinker/test/peptide.xyz |
362 |
%%PORTDOCS%%share/tinker/test/peptide.xyz |
348 |
%%PORTDOCS%%share/tinker/test/phenanth.key |
363 |
%%PORTDOCS%%share/tinker/test/phenanth.key |
349 |
%%PORTDOCS%%share/tinker/test/phenanth.xyz |
364 |
%%PORTDOCS%%share/tinker/test/phenanth.xyz |
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|
365 |
%%PORTDOCS%%share/tinker/test/pol3.key |
366 |
%%PORTDOCS%%share/tinker/test/pol3.xyz |
350 |
%%PORTDOCS%%share/tinker/test/propane.key |
367 |
%%PORTDOCS%%share/tinker/test/propane.key |
351 |
%%PORTDOCS%%share/tinker/test/propane.ray |
368 |
%%PORTDOCS%%share/tinker/test/propane.ray |
352 |
%%PORTDOCS%%share/tinker/test/propane.xyz |
369 |
%%PORTDOCS%%share/tinker/test/propane.xyz |
Lines 363-368
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|
363 |
%%PORTDOCS%%share/tinker/test/pyrrole.xyz |
380 |
%%PORTDOCS%%share/tinker/test/pyrrole.xyz |
364 |
%%PORTDOCS%%share/tinker/test/retinoic.key |
381 |
%%PORTDOCS%%share/tinker/test/retinoic.key |
365 |
%%PORTDOCS%%share/tinker/test/retinoic.xyz |
382 |
%%PORTDOCS%%share/tinker/test/retinoic.xyz |
|
|
383 |
%%PORTDOCS%%share/tinker/test/skunk.key |
384 |
%%PORTDOCS%%share/tinker/test/skunk.xyz |
366 |
%%PORTDOCS%%share/tinker/test/sterol.key |
385 |
%%PORTDOCS%%share/tinker/test/sterol.key |
367 |
%%PORTDOCS%%share/tinker/test/sterol.xyz |
386 |
%%PORTDOCS%%share/tinker/test/sterol.xyz |
368 |
%%PORTDOCS%%share/tinker/test/styrene.int |
387 |
%%PORTDOCS%%share/tinker/test/styrene.int |
Lines 399-412
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|
399 |
%%PORTDOCS%%share/tinker/test/watersmall.dyn |
418 |
%%PORTDOCS%%share/tinker/test/watersmall.dyn |
400 |
%%PORTDOCS%%share/tinker/test/watersmall.key |
419 |
%%PORTDOCS%%share/tinker/test/watersmall.key |
401 |
%%PORTDOCS%%share/tinker/test/watersmall.xyz |
420 |
%%PORTDOCS%%share/tinker/test/watersmall.xyz |
|
|
421 |
%%PORTDOCS%%share/tinker/test/watertiny.dyn |
422 |
%%PORTDOCS%%share/tinker/test/watertiny.key |
423 |
%%PORTDOCS%%share/tinker/test/watertiny.xyz |
402 |
%%PORTDOCS%%share/tinker/test/white.int |
424 |
%%PORTDOCS%%share/tinker/test/white.int |
403 |
%%PORTDOCS%%share/tinker/test/white.key |
425 |
%%PORTDOCS%%share/tinker/test/white.key |
404 |
%%PORTDOCS%%share/tinker/test/white.xyz |
426 |
%%PORTDOCS%%share/tinker/test/white.xyz |
405 |
%%PORTDOCS%%share/tinker/tinker.txt |
427 |
share/tinker/tinker.txt |
406 |
%%PORTDOCS%%@dirrm share/doc/tinker |
428 |
%%PORTDOCS%%@dirrm share/doc/tinker |
407 |
%%PORTDOCS%%@dirrm share/examples/tinker |
429 |
%%PORTDOCS%%@dirrm share/examples/tinker |
408 |
%%PORTDOCS%%@dirrm share/tinker/bench |
430 |
%%PORTDOCS%%@dirrm share/tinker/bench |
409 |
%%PORTDOCS%%@dirrm share/tinker/params |
431 |
@dirrm share/tinker/params |
410 |
%%PORTDOCS%%@dirrm share/tinker/rasmol |
432 |
@dirrm share/tinker/rasmol |
411 |
%%PORTDOCS%%@dirrm share/tinker/test |
433 |
%%PORTDOCS%%@dirrm share/tinker/test |
412 |
%%PORTDOCS%%@dirrm share/tinker |
434 |
@dirrm share/tinker |