[Dock-fans] Adding charges to a mol2 library

Carlos P Sosa cpsosa at msi.umn.edu
Sat Mar 21 08:15:44 PDT 2009


Hello,

Is there a way to add charges to a library of mol2 ligands?  I can do it
via Chimera by processing ligand by ligand but I am wondering if there is
a quicker way to deal with a library with about 100 ligands.  Perhaps
there are some scripts or utilities available.  Thanks





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