FYI, Stephan Nagy (of Tripos??) just said the following on FF (http://friendfeed.com/snagy/discussion):
Tripos will be releasing some sln parsing and generation code for Java and C. There is a formal grammar that will also be made available with the release of those APIs. The current plan is to make them available under the Eclipse Public License, some time late in Q4 08 or early Q1 09. - Stephan Nagy Stephan, yes, heard some rumors about Tripos going into the chemistry workbench business... I assume Tripos aims at tight integration with KNIME? Of course, I'd be rather interested in seeing how it cooperates with Bioclipse and/or plugins... Cheers on planning to choose the EPL license for the SLN library! - Egon Willighagen Our new product offering, Pantheon, is an Eclipse based product that will be available in Q1 09. The first product that we've built that extends Pantheon is called Muse and will be available at the end of 08. As a result of our Pantheon activities we have created a tighter coupling to KNIME, and presumably our plugins should work with Bioclipse, and vice versa (although we haven't tried this). - Stephan Nagy Noel 2008/11/25 Greg Landrum <[email protected]>: > Dear all, > > Yesterday I merged the contents of two branches in subversion into the trunk: > > The first includes some changes to the build system that allow the > RDKit to be built using the mingw system on windows. If you don't know > what this means, it's probably not important to you, so don't worry > about it. :-) > > The second change is more interesting (maybe): I've added two new > molecular input format parsers: Mol2 and SLN. > > Given the chaos that the poorly defined atom types in the mol2 format > make, we had to pick some "standard" definitions to use; we chose > Corina atom types. Nik Stiefl, who wrote the parser and dealt with the > mess that this format is, says it should also work reasonably well on > output from Tripos's dbtranslate program. > > The SLN parser supports a subset of SLN: all molecule features should > be supported, but only a subset of the query features are in place. I > will do a feature matrix for the parser some time in the next couple > of weeks so that it's clear what it can or cannot understand. > > Both parsers are relatively new, so I have no doubt that people will > find problems and areas where they could be improved. Please report > them in the bug tracker and, if possible, provide sample files that > demonstrate the problems. > > Thanks, > -greg > > ------------------------------------------------------------------------- > This SF.Net email is sponsored by the Moblin Your Move Developer's challenge > Build the coolest Linux based applications with Moblin SDK & win great prizes > Grand prize is a trip for two to an Open Source event anywhere in the world > http://moblin-contest.org/redirect.php?banner_id=100&url=/ > _______________________________________________ > Rdkit-discuss mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
