On Thu, Jul 7, 2011 at 9:56 PM, Vincent Le Guilloux
<[email protected]> wrote:
> Yes indeed; is it that bad ? :)
No, not particularly, but it is good to know there is an option to
force reading coordinates as 3D :)
MDLV2000Reader reader = new MDLV2000Reader(ins);
Properties prop = new Properties();
prop.setProperty("ForceReadAs3DCoordinates","true");
PropertiesListener listener = new PropertiesListener(prop);
reader.addChemObjectIOListener(listener);
reader.customizeJob();
The listener bit is historical... I guess this API will simplify in
the next series.
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
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