Re: [Open Babel] Openbabel3 import error in python

Thanks for the message. I had trouble in figuring out the correct PYTHONPATH for my machine. Hence, after pointing the exact path in the .bashrc file, i was able to access the openbabel from python command promt. I set the python path as follows. export PYTHONPATH=/usr/local/lib64/python2.7/site-

Re: [Open Babel] converting .cdx files containing reaction schemes to .rxn

> for example, the reaction scheme gets messed up - reagents over the reaction > arrow are lost, and some reactants become completely altered. Without example files, it's impossible to know what's happening. I suggest posting an example file and a bug report to: https://github.com/openbabel/ope

Re: [Open Babel] converting .cdx files containing reaction schemes to .rxn

Great. I opened an issue (#2099) that should be able to be totally reproducible. Regards, Eric Murphy, PhD Multiphase Flow Scientist Mechanical Engineer murphyericja...@gmail.com | 563-449-6661 LinkedIn | ResearchGate