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v0.3.4 - 2021-09-28
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@cbouy cbouy released this 28 Sep 12:48
· 107 commits to master since this release
v0.3.4
106028c

[0.3.4] - 2021-09-28

This is the version corresponding to the ProLIF published paper.

Added

  • Added our J. Cheminformatics article to the citation page of the documentation and the
    CITATION.cff file.

Changed

  • Improved the documentation on how to properly restrict interactions to ignore the
    protein backbone (Issue #22), how to fix the empty dataframe issue when no bond
    information is present in the PDB file (Issue #15), how to save the LigNetwork diagram
    (Issue #21), and some clarifications on using fp.generate

Fixed

  • Mixing residue type with interaction type in the interactive legend of the LigNetwork
    would incorrectly display/hide some residues on the canvas (#PR 23)
  • MOL2 files starting with a comment (#) would lead to an error
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