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Pull requests list

fix: fix link to contribution guide in README
#748 opened Jan 31, 2025 by cch1999 Loading…
2
Add proper RDKit version constraints
#747 opened Jan 30, 2025 by padix-key Loading…
1
Fix duplicate computation of contact filter
#746 opened Jan 30, 2025 by padix-key Loading…
1
Feat/update vdw radii
#745 opened Jan 29, 2025 by Croydon-Brixton Loading…
5
feat: use rdkit internal PDBResidueInfo for standard annotations
#742 opened Jan 27, 2025 by Croydon-Brixton Loading…
15
Add explicit_hydrogen parameter
#741 opened Jan 24, 2025 by padix-key Loading…
3
fix: support alternative atom names within connect_via_residue_names
#715 opened Dec 10, 2024 by nscorley Loading…
21
Support extraction of secondary structure elements from PDBx files
#710 opened Nov 30, 2024 by ceziegler Loading…
9
Add gallery example for profile alignments
#692 opened Nov 4, 2024 by padix-key • Draft
Add CLePAPS structural alphabet on hold Some reason blocks the further development
#681 opened Oct 19, 2024 by padix-key • Draft
support for YASARA PETWORLD Cif files.
#633 opened Aug 8, 2024 by corredD Loading…
4
Add fetching from the AlphaFold structure database
#492 opened Aug 21, 2023 by dacarlin Loading…
8
Mol2, SDF and XYZ File Parsers
#418 opened Aug 31, 2022 by entropybit Loading…
29
foldx Buildmodel mutation interfact - convenience interface
#374 opened Feb 23, 2022 by Mojusko Loading…
29
[WIP] Optional brute force approach for RDF calculation
#315 opened May 18, 2021 by padix-key • Draft
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