Dear Saulius, > On Thu, Mar 27, 2014 at 1:21 PM, Saulius Gražulis <grazulis@...> wrote: >> In addition, CDK, being a library, is not directly usable in >> Perl/Shell/Unix environment. Someone some day has to build a set of Unix >> executables for CDK to be usable in our context... Like ones you have >> build in Vilnius for Jumbo, for instance.
We used to have those, but since they were not used a lot at the time (years and years ago), we stopped maintaining them. This weekend, during the #blueobelisk hackathon in Cambridge, we discussed it again, as there is now a simple framework that takes away much of the work... I am tempted to introduce the cmd line apps for the CDK again (in a separate project)... So, what would you need? Please file needs here: https://github.com/egonw/cdkcmd/issues >> Another approach would be to try to call CDK directly from the Perl >> using Inline::Java module, but then again we need to build objects >> suitable for CDK. Interesting idea... the command line utils I have an idea about how I would do that... for this, I am not sure, but I can imagine they share the wrapping "command" classes... Egon -- E.L. Willighagen 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 ORCID: 0000-0001-7542-0286 ------------------------------------------------------------------------------ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
