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Pull requests: biotite-dev/biotite

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Pull requests list

Add interface to RDKit
#736 opened Jan 14, 2025 by padix-key Loading…
1
Improve error message in align_structural_homologs()
#735 opened Jan 14, 2025 by padix-key Loading…
1
Add benchmark for CellList
#734 opened Jan 7, 2025 by padix-key Loading…
5
Check that finite values are given as query to CellList
#733 opened Jan 6, 2025 by padix-key Loading…
1
fix: support alternative atom names within connect_via_residue_names
#715 opened Dec 10, 2024 by nscorley Loading…
20
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…
2
Add fetching from the AlphaFold structure database
#492 opened Aug 21, 2023 by dacarlin • Draft
7
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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