Hello Charles,
No I did not load a psf before I loaded the structure.
Should I make a psf file using psfGen [or some tool] and then use
initCoords?
Thanks,
Santhosh
On Tue, Aug 27, 2013 at 8:35 AM, Charles Schwieters
<char...@schwieters.org>wrote:
>
> Hello Santhosh--
>
> >
> > Thanks for the tip. I am running into weird error now.
> >
> > The command protocol.initCoords(fileName) does not recognize any of the
> atoms
> > while protocol.loadPDB(fileName) loads the pdb file correctly. It does
> not
> > make sense as protocol.loadPDB internally calls initCoords [As I see
> from the
> > code].
> >
> > Clip from my terminal:
> > >xplor -py
> > python> protocol.initCoords('model.pdb')
> > PDBTool:read: atom not found in structure: MET 1 N
>
> Did you load a psf (with protocol.initStruct) before you called
> initCoords?
>
> Charles
>
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