ADL: Charges on Mn2+ for Autodock docking

jasminewong at rcsi.ie jasminewong at rcsi.ie
Fri Nov 9 07:03:54 PST 2007


Hey guys!

I'm trying to dock a molecule which has Mn ions in it. It seems i've to
input my own partial charges into the PDBQT file. I've used a table of
charges which had all the charges for common metals in it, found on the
Autodock website for Mg2+ and Ca2+ ions during the summer. But i can't
seem to locate this table anymore. Help?

Many thanks
Jasmine



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