alternate conformations

Pirkko Heikinheimo BTK pheikinh at reality.btk.utu.fi
Mon May 20 05:19:21 EST 1996


Dear Xplor users,

I should include alternate conformations to one of the sidechains in my
protein, but I'm not quite sure on how to do it. I can duplicate the
residue with alternate.inp and the modify the coordinates, but I cannot
have different segid's for the two conformations, because that will cause
problems in 'generate'. If I have the same segid's, how to define the
interaction constraints? I would be more than happy if someone could send
me examples or input files.

Pirkko Heikinheimo
-- 
&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&

Pirkko Heikinheimo
Turku Centre for Biotechnology,
P.O.Box 123,
FIN-20521 Turku, Finland

e-mail: pirkko.heikinheimo at btk.utu.fi
fax:    358-21-333 8000
phone:  358-21-333 8024

&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&&



More information about the X-plor mailing list