[Debichem-devel] Bug#676667: ITP: fmcs -- Find Maximum Common Substructure
Michael Banck
mbanck at debian.org
Fri Jun 8 16:51:26 UTC 2012
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.
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