[Chimera-users] clustering of docking solutions

Sebastian Kruggel kruggel at chemie.uni-hamburg.de
Mon Nov 17 02:16:43 PST 2008


Hi all,

I am looking for a possibility to cluster docking results (multimol2 
file) in chimera. In DockView I can't find such tool and in the 
EnsembleCluster method I don't see a way to set rmsd limits.

I found a hint to the MD Analysis tool in the mailing list, ok, I could 
convert my docking solutions into pdbs and use this, but probably there 
is another simple and convenient way that I am just too blind to see ;-)

Maybe somebody can help?
Thanks in advance,
Sebastian



-- 
Sebastian Kruggel
Institut für Pharmazie
Bundesstr. 45 | Raum 112
D 20146 Hamburg
Tel +49(0) 40 42838 3626




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