Re: [Apbs-users] Minimum PQR requierments

[Nathan B. <ba...@cc...>]

Hello --

Yes, your summary is correct.

Thanks,

Nathan

On May 5, 2008, at 2:12 PM, Chari, Ravi wrote:

> I just wanted to be sure about what pieces of information APBS needs  
> to do its processing. From the manual about XML inputs, it implies  
> that only the XYZ coordinates, charge, and radius are needed.
>
> Everything else like residue, atom name, atom number, chain ID,  
> residue number, etc. are only there for the user to keep track of  
> things.
>
> Is this the situation? Thank you.
>
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--
Associate Professor, Dept. of Biochemistry and Molecular Biophysics
Center for Computational Biology, Washington University in St. Louis
Web: http://cholla.wustl.edu/