Re: [Open Babel] Protonation issues in 2.3.2 version

2015-03-26 Thread ggbs
It works! I suppose that relying on the stable releases, in this case, is not the best option. Thank you. Luigi -- View this message in context: http://forums.openbabel.org/Protonation-issues-in-2-3-2-version-tp4658239p4658277.html Sent from the General discussion mailing list archive at

Re: [Open Babel] Protonation issues in 2.3.2 version

2015-03-20 Thread David Hall
both these molecules perform as expected in the latest code on github. https://github.com/openbabel/openbabel -David On Thu, Mar 19, 2015 at 9:42 AM, ggbs luigi.capofe...@gmail.com wrote: Dear Users, I repropose a problem I already mentioned some time ago. I am using openbabel to

[Open Babel] Protonation issues in 2.3.2 version

2015-03-19 Thread ggbs
Dear Users, I repropose a problem I already mentioned some time ago. I am using openbabel to protonate molecules from sdf file. Using obabel version 2.3.2, several molecules cannot be protonated. Using the python binders pybel/openbabel, I noticed that the the problem is related to the output