Hello, This is my first email to the group so I hope my etiquette is correct.
I am seeing an issue with some structures generated by the -p flag. For example... > obabel -V Open Babel 2.3.90 -- Mar 27 2014 -- 16:44:24 > echo "c1ccc(cc1)C1=NN=C(SC1)Nc1ccc(c(c1)Cl)Cl ZINC05859393" | obabel -ismi > -osmi -p7.4 c1ccc(cc1)C1=NN=[C+](SC1)Nc1ccc(c(c1)Cl)Cl ZINC05859393 This seems to occur with any molecules that contant the substructure N=C([S,N])N Is this a known problem? Many thanks, Dave -- View this message in context: http://forums.openbabel.org/Issues-with-structures-from-p-Add-hydrogens-appropriate-for-this-pH-tp4657349.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Learn Graph Databases - Download FREE O'Reilly Book "Graph Databases" is the definitive new guide to graph databases and their applications. Written by three acclaimed leaders in the field, this first edition is now available. Download your free book today! http://p.sf.net/sfu/NeoTech _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
