[Open Babel] For some g09 log files pybel.readfile throws StopIteration error

2018-03-05 Thread spamidig
I seem to get the error in $Subject for the file attached, which is a shortened version of a g09 log file. Other g09 logs seem to have no problem. Can somebody shed light on what is missing. Thanks, Sudhakar. user_shortg09.log

[Open Babel] For some g09 log files pybel.readfile throws StopIteration error

2018-03-06 Thread spamidig
Geoffrey, David: Here is what I have for the openbabel on the g09 output file. Please let me know if you can not get the file as uploaded. Thanks, Sudhakar. ../openbabel-2.3.2/build/bin/obabel -i g09 gaussian.log -o copy -O obab.copy --errorlevel=2 0 molecules converted root@2d3f3e9bd2f0:/datac