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Balík: python-fmcs (1.0-1)

Find Maximum Common Substructure

Fcms finds the maximum common substructure (MCS) of a group (or cluster) of chemical structures and report the result as a SMARTS string.

More specifically, the MCS found is a common edge subgraph, and not a common induced subgraph. Only connected MCSes are found.

Ostatné balíky súvisiace s balíkom python-fmcs

  • závisí
  • odporúča
  • navrhuje
  • dep: python (<< 2.8)
    interactive high-level object-oriented language (default version)
    dep: python (>= 2.7.1-0ubuntu2)
  • dep: python-argparse
    virtuálny balík poskytovaný balíkom libpython2.7-stdlib
  • dep: python-rdkit
    Collection of cheminformatics and machine-learning software
  • dep: python2.7
    Interactive high-level object-oriented language (version 2.7)

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