Hi all, a long time ago, the CDK came with a number of command line utilities... a 'babel' alternative, descriptor calculator, format guesser, etc:
http://cdk.svn.sf.net/viewvc/cdk/cdk-clapps/trunk/src/main/org/openscience/cdk/applications/ These command line utilities are useful to enrich your shell scripts with some chemistry, but I have not worked on these utilities for a long time... Is there someone who like to take over maintainership for this set of tools, and be its next Dr. Who? 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 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
