Hi all!
I am trying to perform water refinement with the
eginput/gb1_rdc/wrefine.py, and I needed to patch a cis-proline. I referred
to a previously answered post back in 2013 (website link:
http://article.gmane.org/gmane.science.biology.xplor-nih.general/1718/match=cis+proline+water+refinement),
and added the following lines as indicated in the post:
import psfGen
protocol.loadPDB(inputStructures[1],deleteUnknownAtoms=True)
xplor.command('''patch CIPP reference=nil=(resid 202)''')
But I got a bunch of error messages like the following in the log file:
%X-PLOR-ERR: unrecognized command:
X-PLOR>root:x:0:0:root:/root:/bin/bash
%X-PLOR-ERR: unrecognized command:
root:
^^^^
%X-PLOR-ERR: unrecognized command:
root:x
^
%X-PLOR-ERR: unrecognized command:
root:x:
^
%X-PLOR-ERR: unrecognized command:
root:x:0
^
%X-PLOR-ERR: unrecognized command:
root:x:0:
^
......
Without the patch CIPP line the script runs fine. So I am sure it has
something to do with this command. I wonder how do I fix this problem?
Thanks,
Yuan
--
Department of Biochemistry & Biophysics
Texas A&M University
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