On 05/04/2011 16:54, ariste...@cbm.uam.es wrote:
> Hello, i'm unable to add a formula in a .sdf file with 2.3.0, is this
> option broken with the new Open Babel release?

To add to the title, use
--append formula

To as a property, use
--add formula.

The parameter on --append and --add can be a space-separated list of 
descriptors; formula is now a descriptor.

Chris

------------------------------------------------------------------------------
Xperia(TM) PLAY
It's a major breakthrough. An authentic gaming
smartphone on the nation's most reliable network.
And it wants your games.
http://p.sf.net/sfu/verizon-sfdev
_______________________________________________
OpenBabel-discuss mailing list
OpenBabel-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/openbabel-discuss

Reply via email to