[gmx-users] clustering "pdb outsiders"
Ghermes Chilov
Ghermes at belozersky.msu.ru
Mon Jun 28 14:03:15 CEST 2004
NRLF> I've some hundreds of pdbs (conventional format) that came out from a docking
NRLF> calculation.
NRLF> My aim is to analyze these structures, using g_cluster, to find out how's the
NRLF> cluster distribution. I don't know of any other soft. that can do this, so I
NRLF> pointed my batteries to gmx.
AutoDock performs clustering of the docked ligand structures.
Ghermes
More information about the gromacs.org_gmx-users
mailing list