On Feb 10 2014, Peter Murray-Rust wrote: > On Mon, Feb 10, 2014 at 6:45 PM, Karol M. Langner > <karol.lang...@gmail.com>wrote: > > > Hi everyone, > > @Peter and others: does NWChem write CML? I was planning to do some work > > on a NWChem parser in cclib (which will export CML itself), but if NWChem > > already writes CML that would not be a priority. > > > > Bert de Jong will be able to tell you the exact poisition - but it's in > the pipeline. > > I have written logfile2CML parsers for about 10 compchem codes and they are > in http://bitbucket.org/petermr/jumbo-converters. Their goal is to extract > all information from logfiles into semantic form. > > Bert is coordinating the effort to create vocabularies for compchem > > (Bert - what is your new email address??)
Thanks Peter, I've contacted Saulius off-list. -- written by Karol M. Langner Mon Feb 10 16:18:01 EST 2014 ------------------------------------------------------------------------------ Android apps run on BlackBerry 10 Introducing the new BlackBerry 10.2.1 Runtime for Android apps. Now with support for Jelly Bean, Bluetooth, Mapview and more. Get your Android app in front of a whole new audience. Start now. http://pubads.g.doubleclick.net/gampad/clk?id=124407151&iu=/4140/ostg.clktrk _______________________________________________ Blueobelisk-discuss mailing list Blueobelisk-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/blueobelisk-discuss
