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Published September 28, 2021 | Version v0.3.4
Software Open

ProLIF

Creators

Description

[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

Notes

If you use this software, please cite the corresponding article (see preferred-citation).

Files

chemosim-lab/ProLIF-v0.3.4.zip

Files (5.2 MB)

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md5:218e982fbbd019de521bd43b317ae37f
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Additional details

Related works

Is supplement to
https://github.com/chemosim-lab/ProLIF/tree/v0.3.4 (URL)