[Zinc-fans] About Zinc Charges

[John J. Irwin]

Hi Varsha

Thanks for your email and you interest in ZINC.

The current version of ZINC, zinc6, as AMSOL (AM1 with solvation model) 
charges as described in our papers. The previous version, zinc5, had 
MMFF94 charges, which was not what we intended.

I hope this helps.

John


varsha wrote:
> Hello,
> I was wondering that what kind of charges Zinc database molecules has?
> Thanks,
> Varsha
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