Hello Henna, Have you tried the -m option? See http://openbabel.org/wiki/Babel for details.
- Noel 2010/2/26 Henna Härkönen <[email protected]>: > Hi all, > > How can I split a file (.sdf), which contains several tautomers from one > molecule in the same molecule area? > > E.g. if I have a file mol_X.sdf, which contains 5 tautomers for that > particular molecule and I want to split them into files mol_X_1.sdf, > mol_X_2.sdf, .., mol_X_5.sdf which each contain only one of those tautomers. > How can I make it happen? > > > ******************************************************* > Best regard, > Henna > > > ------------------------------------------------------------------------------ > Download Intel® Parallel Studio Eval > Try the new software tools for yourself. Speed compiling, find bugs > proactively, and fine-tune applications for parallel performance. > See why Intel Parallel Studio got high marks during beta. > http://p.sf.net/sfu/intel-sw-dev > _______________________________________________ > OpenBabel-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/openbabel-discuss > > ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ OpenBabel-discuss mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
