On Tue, May 18, 2010 at 8:50 PM, JEAN MARC NUZILLARD
<[email protected]> wrote:
> So, what is the solution?
Lovely corner case. Not uncommon though :)
Solution:
MDLV2000Reader reader = new MDLV2000Reader(ins);
Properties prop = new Properties();
prop.setProperty("ForceReadAs3DCoordinates","true");
PropertiesListener listener = new PropertiesListener(prop);
reader.addChemObjectIOListener(listener);
reader.customizeJob();
See the CDK News article for more details about IO settings.
Grtz,
Egon
--
Post-doc @ Uppsala University
Proteochemometrics / Bioclipse Group of Prof. Jarl Wikberg
Homepage: http://egonw.github.com/
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers
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