On Fri, Nov 7, 2008 at 5:11 PM, Syed Asad Rahman <[EMAIL PROTECTED]> wrote: > I tried fetching getMassNumber() on two mols by reading MDLReader. But > unfortunately it fails (gives same result for both) or I am missing > something.
Making a unit test for that now. > http://www.ebi.ac.uk/chebi/searchFreeText.do?searchString=37340 > http://www.ebi.ac.uk/chebi/searchFreeText.do?searchString=37341 The MDL molfile linked on the first page is a MDL molfile V2000, and should not be read with MDLReader, but with MDLV2000Reader... different format. > Does the MDLWriter it? Did not check yet. Egon -- ---- http://chem-bla-ics.blogspot.com/ ------------------------------------------------------------------------- This SF.Net email is sponsored by the Moblin Your Move Developer's challenge Build the coolest Linux based applications with Moblin SDK & win great prizes Grand prize is a trip for two to an Open Source event anywhere in the world http://moblin-contest.org/redirect.php?banner_id=100&url=/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
