[Debichem-devel] Bug#676667: ITP: fmcs -- Find Maximum Common Substructure

[Michael Banck]

Package: wnpp
Severity: wishlist
Owner: Debichem Team <debichem-devel at lists.alioth.debian.org>


* Package name    : fmcs
  Version         : 1.0
  Upstream Author : Andrew Dalke <dalke at dalkescientific.com>
* URL             : https://bitbucket.org/dalke/fmcs/overview
* License         : BSD
  Programming Lang: Python
  Description     : 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.