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Disulfides #9

Merged
merged 8 commits into from
Jan 16, 2025
Merged

Disulfides #9

merged 8 commits into from
Jan 16, 2025

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Yoshanuikabundi
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@Yoshanuikabundi Yoshanuikabundi commented Jan 16, 2025 •
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Fixes #3

Changes made in this Pull Request:

  • Charged N-termini are now supported
  • A crosslink mechanism has been added to allow residues to define linkages with non-adjacent residues
  • Disulfide bonds with CONECT records are now supported via the crosslink mechanism
  • A simple test case based on hen egg white lysozyme has been added
  • Rudimentary documentation of the available PDB files has been added
  • More complete documentation of the residue definition types has been added

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated?
  • Issue raised/referenced?

@Yoshanuikabundi Yoshanuikabundi merged commit 61cc9a9 into main Jan 16, 2025
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Successfully merging this pull request may close these issues.

Support disulfide bonds
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@Yoshanuikabundi