Did you close the writer? On Fri, Oct 21, 2011 at 3:09 PM, lochana menikarachchi <[email protected]> wrote: > Here is the code that writes the SDF and incomplete SDF file written.. Am I > doing something wrong?? Last 2 or 3 structures are never written > > public static void writeSDF() throws IOException, CDKException > { > String filename = "/Users/lochana/Desktop/test.sdf"; > SDFWriter writer = new SDFWriter(new FileWriter(new > File(filename))); > for (IAtomContainer ac : compounds) { > writer.write(ac); > } > System.out.println("Done!"); > } > > ______________________________________ > > ----- Forwarded Message ----- > From: lochana menikarachchi <[email protected]> > To: "[email protected]" <[email protected]> > Sent: Friday, October 21, 2011 12:26 PM > Subject: [Cdk-user] SDFWriter problem > > > I read in a sdf.gz file downloaded from pubchem using IteratingMDLReader > to a LinkedList of <IAtomContainer> > > The file contains 576 structures. However when I write it using SDFWriter I > can see only 574. Inside the SDF file I can only see half of 575 recored and > none of 576. MDLV2000 writer on the other hand writes all 576 structures > however I am missing most of the information in original SDF. Is this a bug > in SDF Writer?? > > ------------------------------------------------------------------------------ > The demand for IT networking professionals continues to grow, and the > demand for specialized networking skills is growing even more rapidly. > Take a complimentary Learning@Cisco Self-Assessment and learn > about Cisco certifications, training, and career opportunities. > http://p.sf.net/sfu/cisco-dev2dev > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user > > > > ------------------------------------------------------------------------------ > 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 > >
-- Rajarshi Guha NIH Chemical Genomics Center ------------------------------------------------------------------------------ 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
