Hi Charles,
I tried incorporating the .psf file (below), but still get an error.
Any ideas?
Thanks again for your help,
Mark
[TomCatVI:ZF53/Cyana2Xplor_Zn_auto_20231103_9/ensemble] markkelly%
/Applications/xplor-nih-3.5/bin/ens2pdb -psf refine_Zn.psf wrefine_Zn_cs_*.sa >
toSubmit.pdb
found 20 ensembles of size 1
Traceback (most recent call last):
File "<string>", line 1, in <module>
File "/Applications/xplor-nih-3.5/python/xplorInit.py", line 137, in execfile
exec(code, globals, locals)
File "/Applications/xplor-nih-3.5/bin/ens2pdb", line 174, in <module>
pdbData=protocol.initCoords(sortedEnsembleFiles[memberIndex],
File "/Applications/xplor-nih-3.5/python/trace.py", line 220, in func_wrapper
return func(*args, **kwargs)
File "/Applications/xplor-nih-3.5/python/protocol.py", line 926, in initCoords
raise Exception("too many unreadable ATOM entries: %d" %
Exception: too many unreadable ATOM entries: 1853
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