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List: relax-commits
Subject: r2588 - /1.2/generic_fns/palmer.py
From: edward () domain ! hid
Date: 2006-09-30 13:20:34
Message-ID: E1GTelf-0005lz-1k () domain ! hid
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Author: bugman
Date: Sat Sep 30 15:20:34 2006
New Revision: 2588
URL: http://svn.gna.org/viewcvs/relax?rev=2588&view=rev
Log:
Modified the Modelfree4 execution code to test the return status when a PDB file is \
used.
Modified:
1.2/generic_fns/palmer.py
Modified: 1.2/generic_fns/palmer.py
URL: http://svn.gna.org/viewcvs/relax/1.2/generic_fns/palmer.py?rev=2588&r1=2587&r2=2588&view=diff
==============================================================================
--- 1.2/generic_fns/palmer.py (original)
+++ 1.2/generic_fns/palmer.py Sat Sep 30 15:20:34 2006
@@ -456,12 +456,17 @@
if search('out$', file) or search('rotate$', file):
remove(file)
- # Execute Modelfree4.
+ # Execute Modelfree4 (inputting a PDB file).
if pdb:
- spawnlp(P_WAIT, self.binary, self.binary, '-i', 'mfin', '-d', \
'mfdata', '-p', 'mfpar', '-m', 'mfmodel', '-o', 'mfout', '-e', 'out', '-s', pdb) + \
status = spawnlp(P_WAIT, self.binary, self.binary, '-i', 'mfin', '-d', 'mfdata', \
'-p', 'mfpar', '-m', 'mfmodel', '-o', 'mfout', '-e', 'out', '-s', pdb) + \
if status: + raise RelaxProgFailError, 'Modelfree4'
+
+
+ # Execute Modelfree4 (without a PDB file).
else:
- test = spawnlp(P_WAIT, self.binary, self.binary, '-i', 'mfin', '-d', \
'mfdata', '-p', 'mfpar', '-m', 'mfmodel', '-o', 'mfout', '-e', 'out')
- if test:
+ status = spawnlp(P_WAIT, self.binary, self.binary, '-i', 'mfin', \
'-d', 'mfdata', '-p', 'mfpar', '-m', 'mfmodel', '-o', 'mfout', '-e', 'out') + \
if status: raise RelaxProgFailError, 'Modelfree4'
# Failure.
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