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

2019-11-25 Thread Eric Murphy
have not problem capturing all molecules correctly. Though I believe that reaction information is lost. Regards, Eric Murphy, PhD Multiphase Flow Scientist Mechanical Engineer murphyericja...@gmail.com | 563-449-6661 LinkedIn <https://www.linkedin.com/in/eric-james-murphy/> | ResearchGate &

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

2019-11-26 Thread Eric Murphy
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 <https://www.linkedin.com/in/eric-james-murphy/> | ResearchGate <https://www.researc