[Dock-fans] spheres clustering

Yunierkis Perez Castillo yunierkis at uclv.edu.cu
Tue May 8 10:38:06 PDT 2007


Hi all.

After sphere generation and selection using the distance to an inhibitor
present in the crystal structure, I have 48 spheres in my binding site,
and all of them are inside the site.
The visual inspection of the spheres shows spheres in the active site
very near one to other.
Can I find somewhere any tool to re-cluster these 48 spheres in order to
reduce the amount of spheres to use in the docking calculations??.

Thanks in advance
Yunierkis

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