I see now, that makes perfect sense. For some reason although it's clearly stated in the documentation that it takes an obbit vector, I was under the impression that if I wanted to consider matching only 3 atoms, I would just pass on an integer value and obbitvec would handle all of the different combinations of that particular size. (i.e if i wanted to match just 3 atoms out of 5, then there would be 3 choose 5 combination variations with only three atoms....so there would 8 possible combinations)
Thanks again for your clarification, Andi -- View this message in context: http://forums.openbabel.org/IsomorphismMapper-tp3400206p3401655.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Enable your software for Intel(R) Active Management Technology to meet the growing manageability and security demands of your customers. Businesses are taking advantage of Intel(R) vPro (TM) technology - will your software be a part of the solution? Download the Intel(R) Manageability Checker today! http://p.sf.net/sfu/intel-dev2devmar _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
