[Xplor-nih] PDB to PSF
Charles at Schwieters.org
Charles at Schwieters.org
Mon Feb 5 09:37:18 EST 2007
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Hello--
>
> I am testing structure-caluclation things on part of an RNA molecule.
> For this I built a PDB with Olson's X3DNA.
> Now I want to run tests in xplor, but how can I build a PSF file from
> the PDB-file I've got ?
>
Have you tried pdb2psf helper script distributed with Xplor-NIH? While
it can't handle every pdb, it's a good place to start, and if it doesn't
work, please send us the problematic pdb and we'll see if it can be
fixed up.
regards--
Charles
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