MCS search

I trying to use JChem to calculate MCES using the following command:





java chemaxon.sss.search.MCS -v -q q.smiles -t t.smiles -m MCES -w





q.smiles contains:





C(C1CCCC1)C2=CC=CC=C2





t.smiles contains:





C1CCC(C1)C2=CC=CC=C2





my understating is that when trying to calculate MCES the algorithm will look for the substructure with maximum number of bonds!? the MCES for the case above should contain 7 bonds, but I get the MCES with 6 bonds instead.





JChem version 3.2.5





Oleg.

Hi Oleg,





you are right, MCS sould contain 7 bonds. We will trace and fix the bug; I'll let you know when new versionis available for download.





Miklos