Thanks Stefano. Yes, I have compiled OB several times. I will try the development version then.
Yes, the stable version tends to reduce aromatic rings if you use -p7.4 along with --conformer. Otherwise, -p works fine in most instances. Cheers, Miro -- View this message in context: http://forums.openbabel.org/Is-there-a-way-to-prevent-re-protonation-during-conformer-generation-tp4659206p4659214.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Transform Data into Opportunity. Accelerate data analysis in your applications with Intel Data Analytics Acceleration Library. Click to learn more. http://pubads.g.doubleclick.net/gampad/clk?id=278785111&iu=/4140 _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
