[Dock-fans] Adding charges to a mol2 library

[John J. Irwin]

Hi Carlos

I recommend molcharge, part of Quakpac, from OpenEye?

John


Carlos P Sosa wrote:
> 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
>
>
>
> _______________________________________________
> Dock-fans mailing list
> Dock-fans at docking.org
> http://blur.compbio.ucsf.edu/mailman/listinfo/dock-fans
>