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5,127 Commits 10 Branches 6 Tags
cpp11
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320 Commits

Author SHA1 Message Date
Thomas Holder
d1e29b0767 Remove test/* (keep test/dat) 
Those historical tests have not been used or maintained for a long time
and have no value anymore. Keep the data.
 2020-06-22 11:12:34 +02:00
Thomas Holder
91e21b2487 py3-refactor: string module 2019-02-21 18:40:52 +01:00
Thomas Holder
ca83947396 restore contrib/README, test/README 2018-06-19 18:22:29 -04:00
Thomas Holder
c2731f62ef molfile plugins, fetch URLs, ... 
* update molfile plugins to VMD version 1.9.3
* fetch 2fofc/fofc: update URLs, EDS will retire in 2017
* fix sf#102 pseudoatom multi-state problem
* editor.attach_amino_acid: fix PRO/N geometry
 2016-12-14 19:07:39 +00:00
Thomas Holder
999ceebbe8 1.8.3.2 
* experimental MMTF load support
* map export in CCP4 format
* SDF V3000 import/export support
* refactor molecular file formats export: Unified handling of PDB, PQR, mmCIF, MOL2, SDF, XYZ, MAE
* PLY geometry import (as CGO)
* new command: unset_deep
* new setting: cartoon_all_alt: Create cartoon for every alt code
* stick_h_scale: default=1.0 (was: 0.4) but remove dependency on negative stick_radius
* auto_show_classified: Visualize small (< 50 atoms) polymer classified molecules like organic
* bymol selection operator: ignore zero-order bonds
* menu: isomesh/surface negative color
* improve alignment of residues with unknown resn (e.g. ligands):
  give a match score of 5 to perfect matches of unknown residue codes.
  Previously, those got match score -1.
* remove broken and obsolete "PMO" file support
* use "label_digits" setting with "label" command
* do not resize window when loading a session file
* fix ignored SCALE w/ identity rotation (e.g. 1WAP)
* fix "scene auto, clear" (Scene > Delete)
* new setting: pick_shading: do flat shading for programmable image color analysis
* experimental cmd.raw_image_callback: post cmd.draw() callback
 2016-08-30 19:14:39 +00:00
Thomas Holder
40678fe89a Fix multiple open "Save Molecule" dialogs 
- Fix error with multiple open "Save Molecule" dialogs
  https://sourceforge.net/p/pymol/mailman/message/33286949/
- fix windows build, PRIu64
- cmd.as -> cmd.show_as in old test files
- remove obsolete pymol2/make_cmd2.py
 2015-01-30 22:15:45 +00:00
Jason Vertrees
be5a680ffe added a few files left out of v1.5.0.1 2012-02-13 20:55:26 +00:00
herc111
dae09ee4b6 Modified INSTALL, README, DEVELOPERS and layer1/Ortho.c to use 
the Schrodinger copyright.
 2010-01-08 23:49:16 +00:00
wdelano
432d5dbcfd model bugs 2009-05-13 17:27:59 +00:00
wdelano
750d7f79db label2 2009-03-30 01:41:32 +00:00
wdelano
d8f89325e2 solved longstanding + operator bug in selection 2009-03-23 20:59:57 +00:00
wdelano
40d21122e8 2009-03-21 21:10:12 +00:00
wdelano
5c2e068f1e strict aliasing, etc 2009-03-14 19:38:13 +00:00
wdelano
c32dc06401 2009-02-22 01:22:59 +00:00
wdelano
5766b72ad7 2009-02-22 01:15:50 +00:00
wdelano
ab1cf76d8d gz support 2009-02-08 19:59:46 +00:00
wdelano
95e899f0c9 props 2009-02-01 19:10:41 +00:00
wdelano
9aa334826a fit improvements 2009-01-24 00:28:30 +00:00
wdelano
3cc4c7723c 2008-08-21 13:57:43 +00:00
wdelano
beb5be5af3 2008-07-08 15:34:23 +00:00
wdelano
3a4f3a6da2 2008-05-31 22:44:33 +00:00
wdelano
8b4c3e2d87 2008-05-31 20:03:55 +00:00
wdelano
2939bc5fb4 2008-05-31 18:38:13 +00:00
wdelano
cb73177c21 2008-05-31 02:26:13 +00:00
wdelano
26e3519c99 2008-05-21 20:44:22 +00:00
wdelano
338343073b 2008-04-24 20:24:49 +00:00
wdelano
5d468786de 2008-04-19 22:51:38 +00:00
wdelano
19a4e8d37d 2008-04-12 02:26:08 +00:00
wdelano
615698f10b 2008-02-22 23:23:40 +00:00
wdelano
1d0c78d22e 2008-01-31 03:43:31 +00:00
wdelano
f8687f532e 2008-01-23 02:02:47 +00:00
wdelano
1b235ce5d5 2008-01-19 08:55:42 +00:00
wdelano
ce30e97d1b 2008-01-19 08:54:02 +00:00
wdelano
ff4c68da4b 2008-01-19 08:21:52 +00:00
wdelano
40c145ece4 2008-01-19 07:20:01 +00:00
wdelano
99ec6e9adf 2007-10-22 17:44:13 +00:00
wdelano
e4f351e136 2007-10-16 01:40:44 +00:00
wdelano
bd8283b88e 2007-08-26 17:04:39 +00:00
wdelano
e0a99656c0 2007-05-29 23:34:59 +00:00
wdelano
89b6858813 2007-05-25 00:07:03 +00:00
wdelano
932e045e17 2007-05-25 00:03:47 +00:00
wdelano
b3f55f04c8 2007-05-24 17:07:42 +00:00
wdelano
0b2c0c4cc9 2007-05-19 03:18:48 +00:00
wdelano
012ab17b66 2007-05-10 19:45:39 +00:00
wdelano
62ab527234 2007-05-06 20:14:12 +00:00
wdelano
87a4b7a17a 2007-05-06 18:52:08 +00:00
wdelano
024bfdab33 2007-05-06 00:28:19 +00:00
wdelano
26e1e12269 2007-05-05 23:56:34 +00:00
wdelano
50310a363c 2007-05-05 21:51:34 +00:00
wdelano
35370e227d 2007-05-04 01:31:18 +00:00