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v2.2.1 - 2026-07-27

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@cbouy cbouy released this 27 Jul 21:18
· 7 commits to master since this release

Added

  • Logo (PR #359 by Anton Siomchen).
  • Support for richer in checks on IFP object.

Fixed

  • Fixed the HBond acceptor SMARTS pattern to exclude backbone nitrogens from being
    considered as acceptors (Issue #358). While the previous pattern already excluded
    this case, it didn't take into account the fragmentation of the protein in residues
    performed by ProLIF internally, which modifies the environment of atoms involved in
    peptide bonds, thus leading to the nitrogen not matching the exclusion rule and
    passing as an acceptor.