On Mon, Aug 24, 2009 at 6:27 PM, Stefan Kuhn<stefan.k...@ebi.ac.uk> wrote: > On Monday 24 August 2009 09:14:28 Egon Willighagen wrote: > Hm, ok. What I would need is something much more simple, namely the > possibility for the user in JCP to set something called "valence" to an int > value, which would get exported to mol files (and perhaps others as well). > Marvin is having this. So it's not about property calcuation or so, but > something much more basic.
IAtomType.get/setValency(Integer) ? Egon -- Post-doc @ Uppsala University http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------------ 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 _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
