Dear Eric, On Tue, Apr 27, 2010 at 4:07 AM, 周锐 <rain1...@gmail.com> wrote: > when i use cdk1.3.3 to read sdf, there is an exception when it read bond > up or down compound like attachment picture. the following is error message: > Exception in thread "main" java.lang.NullPointerException > at org.openscience.cdk.io.MDLWriter.writeMolecule(MDLWriter.java:315)
Apologies for the late reply. > who can give me some suggestions? thanks in advance. Since 1.3.3 there have been a few changes to the writer; can you please verify if the bug also exists in 1.3.5? If so, please send the current stacktrace, and if possible also the input file you used, or how you created the CDK data model that you are trying to get saved. 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 ------------------------------------------------------------------------------ ThinkGeek and WIRED's GeekDad team up for the Ultimate GeekDad Father's Day Giveaway. ONE MASSIVE PRIZE to the lucky parental unit. See the prize list and enter to win: http://p.sf.net/sfu/thinkgeek-promo _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
