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
More information about the X-plor