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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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Format author names following PDB recommendations
#95
benmwebb
closed
1 year ago
0
Disallow invalid clustering method/feature in Ensemble class
#94
benmwebb
closed
1 year ago
0
EM map header for unreleased entries in EMDB
#93
brindakv
closed
1 year ago
3
make-mmcif.py overwrites assembly name and description
#92
benmwebb
closed
1 year ago
2
make-mmcif.py sets linker type to "none"
#91
benmwebb
closed
1 year ago
3
make-mmcif.py overwrites struct table with "Auto-generated system"
#90
benmwebb
closed
1 year ago
3
Add citation for ColabFold
#89
bienchen
closed
1 year ago
0
_check_duplicate_atom fails for oxygen atoms in water
#88
brindakv
closed
2 years ago
0
Allow for missing _ihm_derived_distance_restraint.restraint_type
#87
benmwebb
closed
2 years ago
0
Handle missing ihm_starting_comparative_models.template_seq_id_begin/end
#86
benmwebb
closed
2 years ago
0
Handle _ihm_starting_model_details before _ihm_entity_poly_segment
#85
benmwebb
closed
2 years ago
0
Add additional sanity checks against external resources
#84
benmwebb
opened
2 years ago
0
Include _ihm_modeling_protocol_details.ensemble_flag in _ProtocolDumper
#83
brindakv
closed
2 years ago
2
Adding custom records to the header
#82
jkosinski
closed
2 years ago
2
Reading files with incorrect model numbers
#81
brindakv
closed
2 years ago
3
Add support for _struct.pdbx_model_details
#80
bienchen
closed
2 years ago
1
Add _struct.pdbx_model_details
#79
bienchen
closed
2 years ago
2
Allow user to override Entity.is_polymeric()
#78
benmwebb
closed
2 years ago
0
Remove UTF characters
#77
bienchen
closed
2 years ago
2
Make output from ligands_water.py example validate
#76
benmwebb
closed
2 years ago
2
"_" as chain name
#75
bienchen
closed
2 years ago
1
Add ihm.citations.alphafold2 for AlphaFold 2.
#74
bienchen
closed
2 years ago
0
Explain ihm.Citation parametrs a bit clearer.
#73
bienchen
closed
2 years ago
1
Citation with ID `primary`
#72
bienchen
closed
2 years ago
3
Allow ihm.dumper to exclude specific categories
#71
brindakv
closed
2 years ago
4
entity.type of single-amino acid entities
#70
bienchen
closed
2 years ago
2
entity_poly.pdbx_seq_one_letter_code_can/ entity_poly.nstd_monomer of non-standard polymer
#69
bienchen
closed
2 years ago
3
Allow "-" in datablock identifiers
#68
bienchen
closed
2 years ago
1
Have make-mmcif.py handle PyMOL output files
#67
benmwebb
closed
2 years ago
0
Validation does not work for BinaryCIF files
#66
benmwebb
closed
2 years ago
0
Add pdbx_PDB_ins_code to AtomSite and write _atom_site.pdbx_PDB_ins_code in dump_atoms
#65
jkosinski
closed
2 years ago
5
`struct_ref` alignment error
#64
brindakv
closed
2 years ago
4
_ihm_modeling_protocol_details.struct_assembly_description spans multiple lines
#63
brindakv
closed
2 years ago
2
Error processing entry id 66 in version 0.21 (but not in version 0.18)
#62
saijananiganesan
closed
2 years ago
0
Add auth_seq_id to atom dumper
#61
rvhonorato
closed
2 years ago
3
Missing auth_seq_id from _atom_site
#60
rvhonorato
closed
2 years ago
2
UnicodeDecodeError while reading Entry 44 using ihm.reader
#59
saijananiganesan
closed
3 years ago
2
AttributeError on fetching distance from a LowerUpperBoundDistanceRestraint object
#58
saijananiganesan
closed
3 years ago
1
uniprot fasta parsing is sometimes broken
#57
danpf
closed
3 years ago
0
Implement _ihm_residues_not_modeled
#56
danpf
closed
3 years ago
2
Segment for StartingModel is incorrect
#55
benmwebb
closed
3 years ago
0
Adapt to modification in FLR dictionary
#54
CAHanke
closed
3 years ago
0
Handle non-ASCII mmCIF files with C parser
#53
benmwebb
closed
4 years ago
0
Unable to get model object for 39th and 40th entries
#52
saijananiganesan
closed
4 years ago
2
Add support for SWISS-MODEL to PDB parser
#51
benmwebb
closed
4 years ago
0
Change ChemDescriptor to ChemComp for flr_poly_probe_position_mutated
#50
CAHanke
closed
4 years ago
1
Extend _all_flr_chemical_descriptors for lifetime-based analyses in flr.py
#49
CAHanke
closed
4 years ago
2
Read dictionary version into System
#48
benmwebb
closed
4 years ago
0
Adapt to modifications in FLR dictionary
#47
CAHanke
closed
4 years ago
1
Allow passing Residue objects to ResidueFeature
#46
benmwebb
closed
4 years ago
0
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