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Published March 28, 2018 | Version v2.4.0
Software Open

KripoDB

Authors/Creators

  • 1. Netherlands eScience Center
  • 2. Vrije Universiteit Amsterdam
  • 3. UMC Nijmegen

Description

Library to interact with Kripo fragment, fingerprint and similarity data files.

KRIPO stands for Key Representation of Interaction in POckets, see reference for more information.

Added

  • Commands to
    • Merge fingerprint/fragment/pharmacophore database files
    • Merge fragment database files
    • Convert phar formatted file from/to pharmacophore database file
  • Methods required by kripo (https://github.com/3D-e-Chem/kripo)

Fixed

  • GET /fragments should accept PDB codes in uppercase (#51)
  • Donor and acceptor features are swapped (#50)

Files

3D-e-Chem/kripodb-v2.4.0.zip

Files (3.8 MB)

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md5:7fb4f60d79bbc0d8853d1ff5a4c2d162
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Additional details

Related works

Is supplement to
https://github.com/3D-e-Chem/kripodb/tree/v2.4.0 (URL)
References
10.1186/1758-2946-6-S1-O26 (DOI)