On Tue, Nov 15, 2011 at 12:46 PM, Martin Guetlein <[email protected]> wrote: > Thanks Egon, the workaround worked. Here is how I did it in Java:
<snip> > There is a problem with one of the descriptors though (it was missing in the > list I used before as well), program output is: Yeah, that might be due to a fix needed, which is part of 1.4.5: https://github.com/cdk/cdk/commit/68536e1a4ba51ed2b0d2fd3965edc4515de85970 Let me know if that helps... Egon -- Dr E.L. Willighagen Postdoctoral Researcher Institutet för miljömedicin Karolinska Institutet (http://ki.se/imm) Homepage: http://egonw.github.com/ LinkedIn: http://se.linkedin.com/in/egonw Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
