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douweschulte
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pdbtbx
A library to open/edit/save (crystallographic) Protein Data Bank (PDB) and mmCIF files in Rust.
https://crates.io/crates/pdbtbx
MIT License
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Check memory footprint
#129
OWissett
opened
1 month ago
0
Refactor long functions
#128
OWissett
opened
1 month ago
0
Customize `StrictnessLevel`
#127
rvhonorato
opened
1 month ago
9
Add ReadOptions implementation
#126
y1zhou
closed
1 month ago
18
Finish implementing the `ReadOptions`
#125
OWissett
closed
1 month ago
0
Downgrade remark type number invalid error
#124
y1zhou
closed
2 months ago
5
Read option to only parse `ATOM` records
#123
y1zhou
closed
2 months ago
5
Fall back strategy for headerless PDB files.
#122
OWissett
closed
2 months ago
2
adds level to lexer for REMARKS to disable line length issues
#121
OWissett
closed
3 months ago
0
Ow/pdb load options
#120
OWissett
closed
3 months ago
0
REMARK Line Length Enforcement
#119
OWissett
closed
3 months ago
2
Update rstar requirement from 0.11 to 0.12
#118
dependabot[bot]
closed
5 months ago
0
add `unique_conformer_names`
#117
rvhonorato
closed
8 months ago
0
add `chains_in_contact`
#116
rvhonorato
closed
8 months ago
1
Utilities?
#115
rvhonorato
closed
8 months ago
6
ReadOptions
#114
OWissett
closed
3 months ago
0
Bad Models in PDB
#113
OWissett
closed
3 months ago
1
Maybe make a Discord?
#112
OWissett
closed
1 month ago
2
Ow/gz
#111
OWissett
closed
11 months ago
2
Fixed chain auto-capitalisation issue
#110
OWissett
closed
11 months ago
4
Bad handling of PDB files containing mixed upper and lower case chains
#109
OWissett
closed
11 months ago
3
Update indexmap requirement from 1.8 to 2.0
#108
dependabot[bot]
closed
11 months ago
0
Update rstar requirement from 0.10 to 0.11
#107
dependabot[bot]
closed
1 year ago
0
Crates.io new version Request
#106
OWissett
closed
1 year ago
1
fixed issue #104
#105
OWissett
closed
1 year ago
1
Issues with `remove_models_except` implementation
#104
douweschulte
closed
1 year ago
2
Added model removal helper functions
#103
OWissett
closed
1 year ago
2
Panic in `save/pdb.rs:517:29` at `Option::unwrap()` on a `None` value
#102
OWissett
closed
1 year ago
3
Add SASA support
#101
OWissett
opened
1 year ago
14
Support pdbML
#100
douweschulte
opened
1 year ago
2
Allow for the use of compressed files
#99
douweschulte
closed
11 months ago
4
Update rstar requirement from ^0.9.2 to ^0.10.0
#98
dependabot[bot]
closed
1 year ago
0
Unable to load poor-quality PDBs
#97
OWissett
closed
1 year ago
6
Panic while parsing
#96
bddap
closed
1 year ago
3
mmCIF format, atoms addressable only via label_* fields and not via auth_* fields
#95
tzok
opened
2 years ago
6
Arc based atom bonds
#94
douweschulte
opened
2 years ago
9
mmCIF parser has column requirements not in line with mmCIF specification
#93
tzok
closed
2 years ago
3
Possible bug parsing H atoms on nucleic structure
#92
brianjimenez
closed
2 years ago
6
Produce js package
#91
sverhoeven
closed
2 years ago
2
Compress error messages for SEQRES
#90
douweschulte
closed
2 years ago
0
added example to sphere.rs
#89
DocKDE
closed
2 years ago
1
Refactored to using HashMap while parsing #81
#88
douweschulte
closed
2 years ago
3
lazystatic for storing Residue and Chain ids
#87
DocKDE
closed
2 years ago
2
hacky workaround for using set membership check when adding new atoms
#86
DocKDE
closed
2 years ago
4
Measurement
#85
DocKDE
closed
2 years ago
4
Added atom sphere examples
#84
DocKDE
closed
2 years ago
1
Proofreading
#83
DocKDE
closed
2 years ago
0
Parsing performance
#82
DocKDE
closed
2 years ago
2
Parsing performance
#81
DocKDE
closed
2 years ago
20
Support atom bonds
#80
douweschulte
opened
2 years ago
1
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