ADL: clustering analysis on different conformations

Siavoush Dastmalchi Dastmalchi.s at tbzmed.ac.ir
Tue Jan 20 00:04:45 PST 2015


Dear List,
 
I need to do a clustering analysis on different conformations of a ligand. These conformations were not obtained from docking studies. I was wondering if it is possible to read in these conformations by AutoDockTool and then do the analysis like those AutoDock performs on the docking solutions generated during its routine docking calculations. 
I know this is not directly related to AutoDock, but will appreciate it if you could kindly let me know if it is possible to do this analysis in ADT or any other means.
 
Cheers,
Siavoush


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