[Open Babel] stereochemistry in openbabel.jar

Ignore message. It was sent prior to my previous message, but with an unsubscribed email account. Apparently, this takes one day to be published in the mailing list in constrast to instantaneous publishing for subscribed accounts. My apologies for the spam. nick From: Nick Vandewiel

[Open Babel] stereochemistry in openbabel.jar

Hi I wanted to use some openbabel functionality in my java-based code, more particularly the stereo-perception algorithm of Razinger, implemented in OBStereoUnitSet FindStereogenicUnits (OBMol *mol, const std::ve

Re: [Open Babel] Fw: Re: substructure search problem

It would be useful to show the molecules you expect to be matched and those which you expect not to be matched. But I suppose that you want to distinguish the molecules whose SMILES are c1c1N and c1c1N(C)C . The SMARTS c1c1N matches both these molecules but c1c1[NH2] or c1c1