[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 

 

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