Hi all, I've added a writer to CDK CVS that generates Gaussian (tm) input files, and can run geometry optimization, and IR frequency calculations...
It uses the CDK's new IO API, i.e. it will ask questions on what to output.... But, for the lazy, there are defaults, so things can still be automized. Egon ------------------------------------------------------- This SF.NET email is sponsored by: eBay Great deals on office technology -- on eBay now! Click here: http://adfarm.mediaplex.com/ad/ck/711-11697-6916-5 _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
