From: P.-L. Chau (pc104_at_pasteur.fr)
Date: Thu May 03 2012 - 01:44:17 CDT
Many thanks for your message.
> is there a special reason why you are using your own atomID ??
As I said, I adapted this from a tclBC script.
> Remember that not all lines of an pdb are atoms, but you inc every
> iteration of the foreach loop. As the getcoord command uses the real
> atomids and yours are wrong, your coordinates put are for different
> atoms.
In my file, I know that all lines are atoms, except for the first line.
The initial six lines of output shows that the initial part of the script
(the bit before the ####### line) works correctly:
LEU A 250 CA
LEU B 256 CA
LEU C 264 CA
LEU D 250 CA
LEU E 259 CA
71170 77036 83081 89113 95134
These are indeed the atoms whose coordinates I would like to print out. I
know what they are from the PDB file, but the output from the script does
not correspond to the numbers in the PBD file.
I tried your suggestion, but I am afraid it did not work. I still get the
incorrect coordinates.
Thank you very much anyway.
email: pc104_at_pasteur.fr
Bioinformatique Structurale
CNRS URA 2185
Institut Pasteur
75724 Paris
France
tel: +33 1 45688546
fax: +33 1 45688719
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