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Hello Mark;
Could you give us a bit more information, in particular what is the
last step that runs before this one?
Could you send me (or post here) the last 10/20 lines of summary
logfile (the one where the lines you reported are) ?
Hopefully with this information we might be able to have a better idea
of what was the problem?
Serge.
PS : most likely this is due to a refinement problem (error happens
when parsing the refmac log file), likely the model provided to refmac
has a chemistry issue...
Le 11 juil. 08 à 05:20, Mark Del Campo a écrit :
I'm running flexWarp on a MacBook Pro and on a Linux box. The
program goes through several
cycles and then gives the following errors when trying to improve an
MR solution:
If I start from the PDB file as is
ERROR
Exception class : 'IndexError'
Message : '<no args>'
BackTrace (limited to level 20) :
=> File "flex-wARP-src-261/CArc.py", line 79, in checkAndProcess
=> File "flex-wARP-src-261/CDecision.py", line 419, in
checkAndProcess
If I reset the identity of the atoms (DUM)
ERROR
Exception class : 'ValueError'
Message : '<no args>'
BackTrace (limited to level 20) :
=> File "flex-wARP-src-261/CArc.py", line 79, in checkAndProcess
=> File "flex-wARP-src-261/CRefmacController.py", line 43, in
checkAndProcess
=> File "flex-wARP-src-261/CRefmacController.py", line 107, in _parse
Can anybody give me a tip?
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