[Debichem-devel] Bug#486254: fit command
Kontopidis George
gkontopidis at vet.uth.gr
Sat Jun 14 18:04:59 UTC 2008
Package: pymol
Version: 0.99rc6.
Fit command
PyMOL>fit (/1MQ4//A/127-257/CA+N+C), ( /2BMC//B/127-257/CA+N+C)
ExecutiveRMS-Error: No atoms selected.
is not working when the chain ID of the two PDB structures (1MQ4.pdb and
2BMC.pdb) are not the same letter
Every time try to overlay two molecule by fit command the chain ID in one
of the two structures have to chain manually before executing the command
PyMOL>fit (/1MQ4//A/128-257/CA+N+C), ( /2BMC//A/128-257/CA+N+C)
Executive: RMS = 1.148 (390 to 390 atoms)
I am not sure if this is a bug or there is an alternative
Thanks
George
-------------------------------------------------
Assistant Professor of Biochemistry
Head of Biochemistry
Veterinary School, University of Thessaly
PO Box 199, Karditsa 43100, Greece
Tel: +30 24410 66081
Mob: +30 69 342 643 75
Fax: +30 24410 66041
e-mail: <mailto:gkontopidis at vet.uth.gr> gkontopidis at vet.uth.gr
web site: <http://www.vet.uth.gr/english/departments_biochemistry.html>
http://www.vet.uth.gr/english/departments_biochemistry.html
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