From: P.-L. Chau (pc104_at_pasteur.fr)
Date: Fri May 04 2012 - 02:19:02 CDT
Thank you for your message.
> Check if the coordinates printed match to another atom in the pdb. So we
> know if it is a issue of the atom numbers or the getcoord command.
> Possibly the getcoord command starts the atom numbers with zero, while
> pdb starts with 1. If so, the atom numbers needs to be decreased by 1.
> Also, check if the atomnumbers put from the first part of the script
> match the right CA atoms in the pdb.
The coordinates printed match NONE of the atoms in the PDB file. Could I
ask you if there is some way to check the getcoord command?
Thank you very much indeed!
P-L Chau
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