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157 total

×2.3

Replace Cython code partially with Rust modules#898

2 days ago

ce13fc5

rust

0%

Use the element as atom name for single atoms in `create_atom_names()`#897

3 days ago

4e270a9

padix-key:ion-atom-names

0%

Note limited meaning of box in assembly#896

8 days ago

c5c57af

padix-key:issue-888

0%

Add optional `entity_id` annotation#894

15 days ago

a8c23e2

padix-key:entity-id-annotation

0%

Parse `atom_id` in `from_topology()`#893

15 days ago

ae73d1a

padix-key:issue-892

0%

fix(structure): reject atom-to-self bonds in BondList and chem_comp_bond writer#884

28 days ago

aeea708

haoyu-haoyu:fix/bondlist-no-self-bond

0%

Fix missing intra-residue bonds in PDBx files#891

22 days ago

7b2f910

padix-key:fix-missing-intra-bonds

0%

Fix missing stop entry for empty atom arrays#889

24 days ago

8900c8d

padix-key:fix-segments

0%

feat: add ClustalW .aln format support for sequence alignments#880

28 days ago

7e6fb6e

haoyu-haoyu:feat/clustalw-aln-format

0%

Make `filter_monoatomic_ions()` more rigorous#887

1 month ago

1e6824b

padix-key:fix-ion-filter

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