Modeller Users,
Does anyone know how to constrain internal coordinates, especially
dihedral angles, only
for residues which are identical between my X-ray template and my unknown
sequence.
In other words, if I am building a lysine on top of a lysine, how
can I get the internal coordinates
to be exactly the same?
Is there a way to automate the generation of the constraints
rather than having to do this for each
and every template/unknown sequence pair?
Thanks in advance.
Regards,
Jim Metz
James T. Metz, Ph.D.
Research Investigator Chemist
GPRD R46Y AP10-2
Abbott Laboratories
100 Abbott Park Road
Abbott Park, IL 60064-6100
U.S.A.
Office (847) 936 - 0441
FAX (847) 935 - 0548
james.metz(a)abbott.com
This communication may contain information that is legally privileged,
confidential, or exempt from disclosure. If you are not the intended
recipient, please note that any dissemination, distribution, use, or
copying of this communication is strictly prohibited. Anyone who receives
this message in error should notify the sender immediately by telephone or
return email and delete it from his or her computer.