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Published February 11, 2016 | Version 1.2.0
Software Open

kripodb: 1.2.0

Authors/Creators

  • 1. Nederlands eScience Center

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

  • Prefix to canned fragments lookups (#11)
  • PDB meta data to fragments db (#6)
  • Limit to distance matrix searches (#5)

Changed

  • Merging of distance matrix files more robust (#10)
  • Tanimoto coefficient is rounded up (#7)

Files

kripodb-1.2.0.zip

Files (3.5 MB)

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md5:acb9441b6d6cbd018729e57d2c4db857
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Additional details

Related works

Is supplement to
https://github.com/3D-e-Chem/kripodb/tree/1.2.0 (URL)