[Dock-fans] macromolecule database

John J. Irwin jji at cgl.ucsf.edu
Thu Sep 3 10:25:26 PDT 2009


Dear Hanna

DOCK takes molecules in mol2 format.  You are free to create any mol2
file you like and use it in DOCK.  The purpose of ZINC is just to make
this easier.  You may be interested to know that DOCK existed for over
20 years before ZINC was created!

Good docking

John
UCSF DOCK Team

hannah pamela tan wrote:
> Good day sir.
>
> i just would like to ask if the ligands and receptor molecules that
> can be studied using the DOCK software can only be found in the Zinc
> database. can't we make our own ligand molecule and try it out with a
> macromolecule from other data banks aside from Zinc?
>
> your kind reply is greatly appreciated.
>
>
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