Re: [Open Babel] Isomer generator

Dear all, The "C2N2O1 with cyanide" problem puzzled me... The pyLSD (free) software -- http://eos.univ-reims.fr/LSD/JmnSoft/PyLSD/ -- was not designed at all to solve this kind of problem but I gave it a try... Here is a commented pyLSD input file for this problem (the lines of stars excluded

Re: [Open Babel] Isomer generator

Dear Xianghai, to my knowledge the only available tool is OMG, which is based on CDK, not obabel. It is described in the following publication and can be downloaded for free: OMG: Open Molecule Generator (2012) Peironcely et al. Journal of Cheminformatics