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ihmwg
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python-ihm
Python package for handling IHM mmCIF and BinaryCIF files
MIT License
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`make-mmcif.py` does not support certain IHMCIF data items
#145
brindakv
opened
1 week ago
2
Make sure all unused objects are preserved by read-write cycle
#144
benmwebb
closed
3 weeks ago
3
make_mmcif.py does not handle some of the IHMCIF tables
#143
brindakv
closed
3 weeks ago
0
Add support for updates in IHMCIF required for unification with PDB
#142
benmwebb
opened
1 month ago
1
Add case- and whitespace-preserving tokenizers
#141
benmwebb
closed
1 month ago
3
Error while parsing sequence information in entry PDBDEV_00000030
#140
aozalevsky
closed
1 month ago
3
Improve reading of ihm_external_files category
#139
benmwebb
closed
1 month ago
0
Allow for float ihm_external_files.file_size_bytes
#138
benmwebb
closed
1 month ago
0
Add support for updates in IHMCIF required for unification with PDB
#137
brindakv
opened
2 months ago
0
Installation doesn't copy ihm/util
#136
gtauriello
closed
2 months ago
0
Add support for database_2 and pdbx_database_status tables
#135
benmwebb
closed
2 months ago
0
Add `make-mmcif.py` to the python package
#134
brindakv
closed
3 months ago
0
Handle duplicate save frames
#133
benmwebb
closed
5 months ago
1
Support for chemical component dictionary
#132
brindakv
opened
6 months ago
3
CifCheck validation fails on files with non-ASCII characters
#131
aozalevsky
closed
6 months ago
1
Better handle seq_id for waters, branched entities
#130
benmwebb
closed
4 months ago
2
Read entity.type from input files
#129
benmwebb
closed
6 months ago
0
Warn on output, don't fail, if one or more empty Entities are present
#128
benmwebb
closed
6 months ago
0
Don't ever treat read-in objects as identical
#127
benmwebb
closed
6 months ago
0
Consider connectivity when comparing two branched entities for identity
#126
benmwebb
closed
6 months ago
0
make-mmcif.py fails on 4M44.cif
#125
benmwebb
closed
7 months ago
0
Handle original author-provided numbering
#124
benmwebb
closed
7 months ago
0
_entity.formula_weight calculation
#123
brindakv
opened
8 months ago
0
define more crosslinkers
#122
grandrea
closed
11 months ago
3
Expose model_id
#121
aozalevsky
closed
1 year ago
1
Discrepancies in entities assignment
#120
aozalevsky
closed
1 year ago
1
Add support for cross-links whose endpoints don't match experimental data
#119
benmwebb
opened
1 year ago
0
Add missing crosslink attributes
#118
aozalevsky
closed
1 year ago
4
EM2D restraints are missing from the docs
#117
aozalevsky
closed
1 year ago
0
Database location names should follow controlled vocabulary
#116
aozalevsky
closed
1 year ago
1
Make output filename an optional argument in make-mmcif.py
#115
brindakv
closed
1 year ago
0
Dataset ordering
#114
aozalevsky
opened
1 year ago
2
Add support for read from / write to JSON
#113
benmwebb
opened
1 year ago
0
ihm.analysis.FilterStep.feature value is not checked
#112
aozalevsky
closed
1 year ago
3
Error when running test/test_reference.py
#111
CAHanke
closed
1 year ago
2
Add support for multi-state schemes from IHM dictionary
#110
CAHanke
closed
6 months ago
3
Add jPOSTrepo to location.py
#109
brindakv
closed
1 year ago
2
Add support for collection tables
#108
benmwebb
closed
1 year ago
5
Dictionary parser incorrectly handles data items defined before categories
#107
benmwebb
closed
1 year ago
0
Add selenocysteine
#106
bienchen
closed
1 year ago
1
python-ihm fails on the ensemble without ihm_ensemble_info.model_group_id
#105
aozalevsky
closed
1 year ago
1
_ihm_external_files.file_size_bytes
#104
brindakv
closed
1 year ago
0
Added citation for MMseqs2, fixed documentation of QMEANDisCo citation.
#103
bienchen
closed
1 year ago
0
Add citation for QMEANDisCo.
#102
bienchen
closed
1 year ago
0
Don't require unique ihm_modeling_post_process.analysis_id
#101
benmwebb
closed
1 year ago
0
Add elements for formula weight calculations
#100
bienchen
closed
1 year ago
1
Missing elements in `ihm.ChemComp._element_mass`
#99
bienchen
closed
1 year ago
2
Water molecules, _pdbx_nonpoly_scheme.auth_seq_num vs. _atom_site.auth_seq_id
#98
bienchen
closed
1 year ago
3
Auto-populate `_ihm_modeling_protocol.ensemble_flag`
#97
brindakv
closed
1 year ago
1
Populate atom_type for multi-scale models
#96
brindakv
opened
1 year ago
1
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