pschmidtke c87362fa04 fixing mmcif writing for db mode

2024-01-25 08:01:29 +01:00

..

mdpocket

sample mdpocket output files

2020-05-14 23:15:51 +02:00

1ATP.pdb

adding dpocket sample files & images

2020-06-05 21:47:06 +02:00

1g50.cif

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

1g50.pdb

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

1orc.cif

insertion code reading

2020-07-17 05:01:36 -07:00

1orc.pdb

insertion code reading

2020-07-17 05:01:36 -07:00

1QNH.cif

added a test for multiple chains as ligand

2020-07-29 13:43:09 -07:00

1ttv.cif

adding sample NMR structure

2021-11-09 22:01:36 +01:00

1ttv.pdb

adding sample NMR structure

2021-11-09 22:01:36 +01:00

1UYD_wrote.cif

mmcif_reading works but outputs fatal error

2020-07-13 07:58:46 -07:00

1UYD_wrote.pdb

mmcif_reading works but outputs fatal error

2020-07-13 07:58:46 -07:00

1UYD.cif

reading mmcif with read_mmcif.c

2020-07-03 02:47:32 -07:00

1UYD.pdb

pqr indexing issues fixed for most cases - test with larger pdbs

2017-03-23 22:23:37 +01:00

2P0R_mod.cif

take into account 2 letters chain names

2020-07-16 11:31:45 -07:00

2P0R_mod.pdb

added missing sample

2020-07-15 06:42:38 -07:00

2P0R_wrote.cif

writing mmcif fonctionnal and separate pockets

2020-07-22 05:16:21 -07:00

2P0R_wrote.pdb

mmcif_reading works but outputs fatal error

2020-07-13 07:58:46 -07:00

2P0R.cif

reading mmcif with read_mmcif.c

2020-07-03 02:47:32 -07:00

2P0R.pdb

test 2P0R

2020-06-11 06:16:47 -07:00

3LKF.pdb

adding dpocket sample files & images

2020-06-05 21:47:06 +02:00

3vi4.pdb

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

3VI4.cif

tests for mmcif added

2020-07-23 09:14:33 -07:00

4bdf.cif

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

4bdf.pdb

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

4gfo_customized.cif

issue-119 adding sample cif

2023-12-15 10:12:07 +01:00

4gfo.cif

issue-119 adding sample cif

2023-12-15 10:12:07 +01:00

4URL.pdb

fixed bugs on explicit pocket prediction

2017-03-31 23:38:31 +02:00

5RGF.cif

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

5rgf.pdb

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

5WA6.pdb

dev-13 wrapping up final build with new qhull

2018-07-23 21:53:46 +00:00

6cs2.cif

issue-113 adapting bfactor filtering to account for collective motions

2023-11-21 07:58:52 +01:00

6cs2.pdb

issue-113 adapting bfactor filtering to account for collective motions

2023-11-21 07:58:52 +01:00

6tl9.pdb

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

6TL9.cif

tests for mmcif added

2020-07-23 09:14:33 -07:00

6x3p.pdb

fixes on alternate locations in cif & output as cif

2022-05-10 10:58:46 +02:00

6X3P.cif

tests for mmcif added

2020-07-23 09:14:33 -07:00

7TAA.pdb

adding dpocket sample files & images

2020-06-05 21:47:06 +02:00

7z9t.cif

sample structure with long chain names

2024-01-11 13:52:24 +01:00

123abc.cif

fixing mmcif writing for db mode

2024-01-25 08:01:29 +01:00

test_dpocket.txt

documentation update

2020-06-05 22:46:51 +02:00