Dear Dmitry, On Sat, Oct 31, 2009 at 12:47 AM, Dmitry Pavlov <dpav...@scitouch.net> wrote: > We (SciTouch LLC) recently published our cheminformatics > toolkit called Indigo. It consists of five software products:
Congratulations with the GPLv3 release! > The source code provided contains original implementations > of many algorithms: Can you say some words on the data model you are using? Does it support only molecules, or also protein structures (PDB files)? Is it based on a simple chemical graph, or doing something more Dietz like? I am also interesting in how Indigo can interoperate with other Blue Obelisk components... Does Indigo: * support reading and writing of Chemical Markup Language? * use the Blue Obelisk Data Repository for isotope properties? * use the Algorithm Dictionary, so that we can GPLv3/C++ implementations of common cheminformatics algorithms? * have a library of unit tests? Looking forward to hearing from you! Kind regards, Egon Willighagen -- Post-doc @ Uppsala University Homepage: http://egonw.github.com/ Blog: http://chem-bla-ics.blogspot.com/ PubList: http://www.citeulike.org/user/egonw/tag/papers ------------------------------------------------------------------------------ Come build with us! The BlackBerry(R) Developer Conference in SF, CA is the only developer event you need to attend this year. Jumpstart your developing skills, take BlackBerry mobile applications to market and stay ahead of the curve. Join us from November 9 - 12, 2009. Register now! http://p.sf.net/sfu/devconference _______________________________________________ Blueobelisk-discuss mailing list Blueobelisk-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
