biopython

1A7G.cif

DSSP chain label correction for mmCIF files, mark II (#3450 )

2020-12-30 18:53:20 -08:00

1A8O.asa

Bio/PDB/NACCESS: Various NACCESS fixes and unit tests

2013-11-28 11:23:36 +00:00

1A8O.cif

Start unit test for MMCIF.

2012-03-29 13:28:45 +01:00

1A8O.mmtf

Stop the MMTF parser treating NUL bytes as altlocs

2016-11-07 12:49:48 +00:00

1A8O.pdb

Added tests for preserve_numbering in PDBIO

2020-06-27 19:38:27 +01:00

1A8O.rsa

Bio/PDB/NACCESS: Various NACCESS fixes and unit tests

2013-11-28 11:23:36 +00:00

1A8O.xyzr

Support MSMS calls on Windows

2017-04-19 09:56:51 +01:00

1AS5.cif

Fix DSSP error when MMCIF file contains non-standard residues (#1194 )

2017-04-28 11:10:20 +01:00

1gbt.bcif.gz

Add BinaryCIF parser (#4707 )

2024-06-11 04:35:46 +01:00

1GBT.cif

Add a PDBML (PDB XML) parser (#4591 )

2024-02-24 15:10:12 -05:00

1GBT.xml

Add a PDBML (PDB XML) parser (#4591 )

2024-02-24 15:10:12 -05:00

1LCD.cif

Modify MMCIF unit test for multiple models.

2012-04-23 17:48:22 +01:00

1LCD.pdb

Silenced most warnings in the tests: added QUIET=1, fixed old-style warning catching in favour of catch_warnings()

2016-04-05 15:32:28 -07:00

1MOM_min.cif

Fix quotes in mmCIF parsing, replace shlex dependency

2017-08-09 14:43:17 +01:00

1SSU_mod.cif

MMCIFParser ignore '.' header values (#4399 )

2023-11-13 16:08:38 +00:00

1SSU_mod.pdb

mmCIF writer for Bio.PDB

2017-11-01 00:00:38 +00:00

2BEG_noheader.dssp

Finally fix DSSP problem.

2013-08-31 10:24:01 +01:00

2BEG.cif

Fix DSSP error when MMCIF file contains non-standard residues (#1194 )

2017-04-28 11:10:20 +01:00

2BEG.dssp

Add DSSP unit test.

2013-08-27 11:52:18 +01:00

2BEG.pdb

PDB: added 2 simple unit tests for header parsing

2010-05-29 16:49:56 -04:00

2n0n_M1.pdb

Support residue insertion codes in SeqIO.PdbIO (#2215 )

2019-08-21 17:49:57 +01:00

2OFG.cif

Small fixes and improved parsing for models in the MMCIF parser, insertion codes and line_counter.

2015-04-01 18:33:29 +01:00

2XHE.cif

Add cif-seqres and cif-atom SeqIO drivers

2018-10-19 11:14:14 +01:00

2XHE.pdb

Fixing a bug of SeqIO.PdbIO in parsing pdb-atom

2013-08-09 15:00:35 -07:00

3jqh.bcif.gz

Add BinaryCIF parser (#4707 )

2024-06-11 04:35:46 +01:00

3JQH.cif

Mark residues as disordered when parsing MMCIF

2016-12-09 11:13:58 +00:00

3JQH.xml

Add a PDBML (PDB XML) parser (#4591 )

2024-02-24 15:10:12 -05:00

4CUP.cif

Adde the MMTF parser, test data and test code.

2016-06-24 11:30:31 +01:00

4CUP.mmtf

Stop the MMTF parser treating NUL bytes as altlocs

2016-11-07 12:49:48 +00:00

4Q9R_min.cif

Fix mmCIF parsing bug with underscores

2017-08-04 14:15:16 +01:00

4ZHL.cif

Rename PDB/4zhl.cif to PDB/4ZHL.cif

2016-07-18 11:36:18 +01:00

4ZHL.mmtf

Stop the MMTF parser treating NUL bytes as altlocs

2016-11-07 12:49:48 +00:00

6wg6.bcif.gz

Add BinaryCIF parser (#4707 )

2024-06-11 04:35:46 +01:00

6WG6.cif

Add a PDBML (PDB XML) parser (#4591 )

2024-02-24 15:10:12 -05:00

6WG6.xml

Add a PDBML (PDB XML) parser (#4591 )

2024-02-24 15:10:12 -05:00

6WQA.cif

Add CEAligner module for structural alignment of 3d molecules (#3849 )

2022-04-25 18:56:28 -04:00

7CFN_aligned.cif

Fix bug in rotation matrix transpose when using QCP methods (#3957 )

2022-06-17 11:31:27 -04:00

7CFN.cif

Add CEAligner module for structural alignment of 3d molecules (#3849 )

2022-04-25 18:56:28 -04:00

7DDO.pdb

Read PDB format DBREF1 and DBREF2 records (#3901 )

2022-05-12 10:35:04 +01:00

a_structure.cif

Started a_structure.cif with data_

2024-06-26 10:44:57 +09:00

a_structure.pdb

Added warning for unexpected records when parsing coordinates in PDB files. (#3208 )

2020-08-13 14:31:42 -07:00

Ahmad_RASA.txt

Adds new normalization ASA values DSSP based on Ahmad et al (#3588 )

2022-07-27 15:11:30 -04:00

alignment_file.fa

Tests and get_columns fix for StructureAlignment

2017-04-12 11:09:22 +01:00

d256ba_.ent

add remark 99 tests

2019-08-05 14:39:44 +01:00

disordered.pdb

DisorderedAtom returns children sorted by altloc (#3232 )

2020-08-24 11:34:40 -07:00

dssp_xtra_Sander.txt

Unit test for the DSSP object

2016-07-27 11:35:50 +01:00

header.pdb

fixed PDB header tail trim to match comment. (#2003 )

2019-05-15 08:47:11 +01:00

ions.pdb

Added warning for unexpected records when parsing coordinates in PDB files. (#3208 )

2020-08-13 14:31:42 -07:00

lib_10_z_5.txt

Convert FragmentMapper.py self-test into a unit test.

2017-05-29 11:45:13 +01:00

Miller_RASA.txt

Unit test for the DSSP object

2016-07-27 11:35:50 +01:00

occupancy.pdb

PDBParser blank occupancy as 1

2013-08-08 15:48:01 -04:00

Sander_RASA.txt

Unit test for the DSSP object

2016-07-27 11:35:50 +01:00

Wilke_RASA.txt

Unit test for the DSSP object

2016-07-27 11:35:50 +01:00