On Friday 12 March 2004 17:29, Miguel Howard wrote: > Egon is not around to help ... perhaps someone else can ... > > > I am a new user of Jmol. I just want to know what output file of > > Gaussian Jmol can open? I tried *.log, *.chk and *.com. But I can't open > > them > > Anyone of you can help me with this? > > My *guess* is that you pipe the output of gaussian to a text file. Then > open that text file within Jmol. > > The extension of the file name does not matter.
Depending on the actual version of Jmol: Jmol 10pre6: ================ Start Jmol like: java -Dmodel=cdk -jar Jmol.jar (Miguel, I will make a patch that will try model=simple and them model=cdk so that we can drop this command line switch asap...) Jmol 10pre6 supports Gaussian 98 and 03 output. Jmol 9 ================ Simply start Jmol and use the File->Open menu to open the Gaussian file. Gaussian 94 up to 03 is supported. OK, that's the theory and works for all gaussian files we have to test it against. But it might be that your Gaussian file has features not taken into account. If you think this is the case, I would like to ask you to send us a file (preferably with a notice that we may include it Jmol for distribution under GPL license for testing purposes) which is given trouble... Egon ------------------------------------------------------- This SF.Net email is sponsored by: IBM Linux Tutorials Free Linux tutorial presented by Daniel Robbins, President and CEO of GenToo technologies. Learn everything from fundamentals to system administration.http://ads.osdn.com/?ad_id=1470&alloc_id=3638&op=click _______________________________________________ Jmol-users mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-users
