Hi, I am using OpenBabel to split a multimol2 file into separate mol2 files (i.e. one mol2 file per compound). I use the following command:
babel my_ligands.mol2 ligandPart.mol2 -m such that each single ligand mol2 file will be called ligandPart1.mol2, ligandPart2.mol2, etc The issue is that for some compounds, I have noticed that some bond types have been changed in the process, particularly aromatic bonds appearing where there should not be any. Is there another option to add to the command above that would tell OpenBabel not to modify the bond types? Thank you in advance for any help! Juliette -- View this message in context: http://forums.openbabel.org/Splitting-multimol2-file-with-OpenBabel-without-changing-bond-types-tp4655508.html Sent from the General discussion mailing list archive at Nabble.com. ------------------------------------------------------------------------------ Don't let slow site performance ruin your business. Deploy New Relic APM Deploy New Relic app performance management and know exactly what is happening inside your Ruby, Python, PHP, Java, and .NET app Try New Relic at no cost today and get our sweet Data Nerd shirt too! http://p.sf.net/sfu/newrelic-dev2dev _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
