Lochana, On Tue, Jan 17, 2012 at 6:08 PM, lochana menikarachchi <[email protected]> wrote: > I have a sdf file with abbreviated amino acids..The CDK SDF readers seem to > read this molecule but fails to write it back in SDF format..Is there anyway > to expand these abbreviations?? Any other library or workaround?? The SDF is > attached. Thanks.
this is the same problem Rajarshi was making a patch for, right? Egon -- Dr E.L. Willighagen Postdoctoral Researcher Department of Bioinformatics - BiGCaT Maastricht University (http://www.bigcat.unimaas.nl/) 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 ------------------------------------------------------------------------------ Try before you buy = See our experts in action! The most comprehensive online learning library for Microsoft developers is just $99.99! Visual Studio, SharePoint, SQL - plus HTML5, CSS3, MVC3, Metro Style Apps, more. Free future releases when you subscribe now! http://p.sf.net/sfu/learndevnow-dev2 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
