proton addition to high atomic resolution crystal structure

George Elkins netnews.20.elkins at spamgourmet.com
Mon Jan 19 19:08:13 EST 2004


"Oscar Hur" <oscarhur at cse.ucsc.edu> wrote in message
news:Pine.GSO.4.44.0311191938020.23210-100000 at apache.cse.ucsc.edu...
>
> Hi
>
> I have a batch of high resolution/atomic resolution X ray crystal
> structure PDB files.  I want to look at the proton position and geometry
> on the proteins.  I heard that there are softwares that can add protons
> computationally to the high resolution/atomic resolution crystal
> structures.  Any recommendation?
>
> Thanks.
>
> Oscar
>
> ----------------------------------------------
> Oscar Hur, PhD
> oscarhur at cse.ucsc.edu
> Department of Computer Engineering
> Center for Biomolecular Science & Engineering
> University of California at Santa Cruz
>

If you want the protons, why not just use protein structures derived from
NMR spectroscopy?

George Elkins





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