I am trying to use Rcrane in stand-alone coot version 0.8.8. The Rcrane
window opens and I am able to calculate new conformations for my nucleic
acid. But when I am trying to accept a conformation, I am getting an error
message:
Traceback (most recent call last):
File
"/home/programs/x86_64-linux/ccp4/7.0/ccp4-7.0/lib/python2.7/site-packages/coot/rcrane/reviewSuitesGui.py",
line 1041, in __accept
self.__pseudoMolecule.finalMoleculeCleanup(fixSegids =
bool(self.__pseudoMolecule.hasSavedCoordinates()))
File
"/home/programs/x86_64-linux/ccp4/7.0/ccp4-7.0/lib/python2.7/site-packages/coot/rcrane/pseudoMolecule.py",
line 1735, in finalMoleculeCleanup
curRes[3].sort(key = lambda x:
self.__reorderAtomsOrder[str(curRes[2])][x[0][0].strip()])
File
"/home/programs/x86_64-linux/ccp4/7.0/ccp4-7.0/lib/python2.7/site-packages/coot/rcrane/pseudoMolecule.py",
line 1735, in <lambda>
curRes[3].sort(key = lambda x:
self.__reorderAtomsOrder[str(curRes[2])][x[0][0].strip()])
KeyError: "H5'"
Any suggestions what might be wrong, and how I can fix this?
Thanks
--
Ursula Schulze-Gahmen, Ph.D.
Project Scientist
UC Berkeley, QB3
360 Stanley Hall #3220
Berkeley, CA 94720-3220
(510) 643 9491
