All pull requests

Pull requests

• Implement backwards incompatible changes

  #949·padix-key opened Sep 23, 2026Member·

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  1

• Write CONECT records for bonds between residues differing in insertion code

  #946·haeganm opened Sep 17, 2026·

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  1

  7

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

  #884·haoyu-haoyu opened Apr 14, 2026Contributor·

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  1

  8

• Disallow redundant bonds in BondList

  #829·Linford24 opened Sep 12, 2025·

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  9

• Add pandas-style query functionality to AtomArray and AtomArrayStack objects

  enhancement
  #815·Croydon-Brixton opened Jul 20, 2025Contributor·

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  10

• Add gallery example for profile alignments

  #692·padix-key opened Nov 4, 2024Member·

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• support for YASARA PETWORLD Cif files.

  #633·corredD opened Aug 8, 2024·

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  4

• Mol2 and XYZ File Parsers

  #418·entropybit opened Aug 31, 2022Contributor·

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  29

• foldx Buildmodel mutation interfact - convenience interface

  #374·Mojusko opened Feb 23, 2022·

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  29

• [WIP] Optional brute force approach for RDF calculation

  #315·padix-key opened May 18, 2021Member·

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