NOE Violations

Weixing Zhang wzhang at UNMC.EDU
Sun Sep 29 14:07:39 EST 1996


 
Dear xplor specialists:

	I am trying to find NOE violations for each NOE restraint in all structures.
If I can read the atom name and sequence number from a NOE_table, I can use PICK
to find the distance in the structure, then calculate the amount of violations.

	But I do not know how to read (or extract sequence number and atom name from)
the NOE Table line-by-line using X-PLOR.  I would highly appreciate your helping me
with this problem.


Weixing Zhang, Ph.D.
Eppley Cancer Institute
University of Nebraska Medical Center
Omaha, NE 68198-6805
USA
 



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