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5,829 Commits 10 Branches 6 Tags
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60 Commits

Author SHA1 Message Date
Jarrett Johnson
33c5c7c36a Support CIF structure factors to Density Map (#455) 2025-05-13 01:10:54 -04:00
Jarrett Johnson
6731589c9b BinaryCIF Import Implementation (#353) 2024-06-05 00:01:49 -04:00
Thomas Holder
6c0da3bd59 MMTF loader HETATM test (#8) 
See https://github.com/schrodinger/pymol-open-source/issues/295
 2023-07-20 13:22:36 -04:00
Thomas Holder
41cbbe8360 test for bonds with symmetry operators 2021-01-20 14:38:06 +01:00
Thomas Holder
07874d143d MAE label import tests PYMOL-3544 2020-10-16 10:07:18 +02:00
Thomas Holder
00f1a207e0 Test for PYMOL-3470 2020-06-02 10:18:04 +02:00
Thomas Holder
e7acc28960 remove 1aon.pdb 2020-02-07 16:09:40 +01:00
Thomas Holder
313a9f7448 testMissingResIns 2019-12-09 14:18:17 +01:00
Thomas Holder
4b0bd5be7e use 'mrc' and 'map' extensions for Test3260 2019-12-04 15:37:55 +01:00
Thomas Holder
9bbcb29c84 test for _chem_comp_atom.alt_atom_id 2019-11-20 20:44:03 +01:00
Thomas Holder
7b66f590b9 tests for 2.3.3 2019-08-21 11:06:58 +02:00
Thomas Holder
fdf5ff6779 test for PYMOL-3260 2019-07-12 21:23:06 +02:00
Thomas Holder
36afe51d27 PYMOL-3225 PSE with negative (signed) atom flags 2019-04-01 13:54:46 +02:00
Thomas Holder
75aa8db39a PYMOL-3175 pdb_use_ter_records 2018-12-10 17:26:57 +01:00
Thomas Holder
25bf3bf234 add missing file (for 49a2e89a69) PYMOL-3153 2018-11-27 11:31:11 +01:00
Thomas Holder
5dc21c3279 PYMOL-3163 CMS inscode test 2018-11-05 18:46:32 +01:00
Thomas Holder
8a8bdc38c0 PYMOL-376 seqalign 2018-10-25 12:08:07 +02:00
Thomas Holder
17ce7adfc6 PYMOL-3127 testLoadMae(multiplex, discrete) 2018-09-21 14:58:19 +02:00
Thomas Holder
60905f9118 epymol.ph4 2018-07-30 10:09:35 +02:00
Jarrett Johnson
f99d358286 Added DNA Seq and Non-canonical nucleoside test 2018-06-26 14:49:50 -04:00
Jarrett Johnson
e6f057a5f6 adding nucleic acid mutagenesis test 2018-06-25 17:11:11 -04:00
Thomas Holder
1a460f8379 PYMOL-3064 PQR format variants 2018-06-07 16:04:33 +02:00
Thomas Holder
d074d1611b PYMOL-3036 MAE CRYST1 import 2018-04-09 08:09:42 +02:00
Thomas Holder
d45bdd015d dx maps 2018-02-12 13:46:50 +01:00
Thomas Holder
b4509fd31f chem_comp_cartn_use 2018-01-05 16:22:16 +01:00
Thomas Holder
9e226346f5 PYMOL-2988 elements from GRO files 2017-11-15 14:46:47 +01:00
Thomas Holder
5bb82d3ac1 PYMOL-2975 2017-10-24 18:38:39 +02:00
Thomas Holder
cdc76c6739 MMTF major version rejection test 2017-02-21 11:59:14 -05:00
Thomas Holder
7c875a6ddb empty MMTF files 2017-02-21 10:14:06 -05:00
Thomas Holder
1fbe53b96e PYMOL-2838 2016-11-28 12:50:13 -05:00
Thomas Holder
9f9c16c8a8 msms surface (vert/face) via molfile plugin 2016-11-04 19:02:27 -04:00
Thomas Holder
a28d73da89 CHARMM cor/cdr loading test SUPPORT-78892 2016-10-31 14:53:54 -04:00
Thomas Holder
62f40802a2 mmtf load test 2016-10-11 15:26:21 -04:00
Thomas Holder
c9b7b8d071 add missing data file 2016-08-18 16:20:29 -04:00
Thomas Holder
0d9b29dc46 testLoadEmbedded 2016-07-13 16:45:32 -04:00
Thomas Holder
14dd9d71ca PYMOL-1840 SDF/MOL V3000 import support 2016-06-08 14:56:00 -04:00
Thomas Holder
e37a76f9e6 PYMOL-2727 2016-03-03 12:21:43 -05:00
Blaine Bell
7a2c9d7c94 PYMOL-2647: add tests for pse_binary_dump 
- added tests for pse_export_version and pse_binary_dump
 2015-11-16 17:00:06 -05:00
Thomas Holder
7520604a04 PYMOL-2469 tests for mmpymolx 2015-10-14 17:20:04 -04:00
Thomas Holder
6d4e128f65 pdbml, pdbqt, cml tests 2015-09-25 17:14:25 -04:00
Thomas Holder
27be761d86 side_chain_helper tests 2015-06-18 11:09:39 -04:00
Thomas Holder
4b3bfe5e1f assembly test 2015-05-18 22:32:22 -04:00
Thomas Holder
9c36a6f807 add missing files 2015-05-15 13:25:41 -04:00
Thomas Holder
1cde929081 psf, vasp 2015-04-24 17:10:52 -04:00
Thomas Holder
531bc07387 testLoadTOP 2015-04-20 18:40:22 -04:00
Thomas Holder
e89c9a5bc6 testLoad_cube 2014-09-30 18:35:21 -04:00
Thomas Holder
8cb9c7c5e8 testLoad_map, testLoad_idx 2014-09-30 18:25:37 -04:00
Thomas Holder
04fe789bab more file i/o 2014-09-24 16:42:50 -04:00
Thomas Holder
fd83b958fe testLoad_multi 2014-09-23 18:13:47 -04:00
Thomas Holder
b950ac1613 test for PYMOL-1917 2014-07-03 18:01:30 -04:00