> See http://openbabel.org/wiki/--append , which also shows the > command-line syntax:
Great! Thanks ;) And is it possible to replace the uninformative title (like chemistry179... what a waste of time to correct that before splitting files) bye e.g. the <compound ID> field? Of course, using --addtotitle "uniqueString" before --append and doing a bit of search (regex) and replace (with nothing) should do the trick... but it's not one shot :) Regards, Pascal ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ OpenBabel-discuss mailing list OpenBabel-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/openbabel-discuss
