Dear all,
I was playing with cealign in PyMOL and noticed the following discrepancy:
Results using cealign from PyMOL:
--- < snip > ---
...
PyMOL>load 1fsz.pdb
...
PyMOL>load 1tub.pdb
...
PyMOL>cealign (1fsz and chain A), (1tub and chain A)
RMSD 4.423531 over 272 residues
--- < snip > ---
vs. results using jCE from the RCSB webpage (rmsd 3.22 over 305 residues):
http://www.rcsb.org/pdb/workbench/showPrecalcAlignment.do?action=pw_ce&name1=
1FSZ.A&name2=1TUB.A
Am I doing something wrong? Am I missing something? If this is not the case,
why are the results substantially different?
Thanks for any help,
Dirk
---
Dr. Dirk Reinert
Boehringer Ingelheim Pharma GmbH & Co. KG
Dept. Lead Identific. and Optim. Sup. Ge
Tel.: +49 (7351) 54-97892
Fax: +49 (7351) 83-97892
mailto:dirk.rein...@boehringer-ingelheim.com
Boehringer Ingelheim Pharma GmbH & Co. KG, Sitz: Ingelheim am Rhein;
Registergericht Mainz: HR A 22206; Komplementär Boehringer Ingelheim
Deutschland GmbH; Geschäftsführung: Dr. Engelbert Günster (Vorsitzender),
Ursula Fuggis-Hahn, Ralf Gorniak, Michael Klein, Dr. Martin Wanning;
Vorsitzender des Aufsichtsrates: Prof. Dr. Dr. Andreas Barner; Sitz:
Ingelheim am Rhein; Registergericht Mainz: HR B 23260
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