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
