Annemarie Rom-Weisenbach wrote: > Bob, > > Thank you for your reply. I had to upgrade to 10.9.75 (from 10.2) to > see the functionality that you describe and now can see the vibrations > in the way you describe. > > I have 2 more questions. Let me explain that I am helping a college > professor update some chem dept web pages to use Jmol rather than > Chime. He is currently away and unreachable, so these questions may be > basic ones because I cannot consult with him. > > 1 - is the reading of vibration data into auxiliaryInfo.VibFreqs > supported only for SMOL files? I noticed that SMOL files are the only > format mentioned at all on the vibration demo web page. > I think I set it up for the Mopac reader as well; I think it's "as needed"
> 2 - if other formats are supported, are Gaussian .log files supported > in this way (i.e. into auxiliaryInfo.VibFreqs)? Is there something > in the way that my .log file was generated that is causing Jmol to > not recognize the vibration data for reading into auxiliaryInfo.VibFreqs? > I think I just haven't implemented it. > Again, any info and/or pointers to doc appreciated. > > Annemarie > >------------------------------------------------------------------------ > >------------------------------------------------------------------------- >Using Tomcat but need to do more? Need to support web services, security? >Get stuff done quickly with pre-integrated technology to make your job easier >Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo >http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 > >------------------------------------------------------------------------ > >_______________________________________________ >Jmol-users mailing list >Jmol-users@lists.sourceforge.net >https://lists.sourceforge.net/lists/listinfo/jmol-users > > ------------------------------------------------------------------------- Using Tomcat but need to do more? Need to support web services, security? Get stuff done quickly with pre-integrated technology to make your job easier Download IBM WebSphere Application Server v.1.0.1 based on Apache Geronimo http://sel.as-us.falkag.net/sel?cmd=lnk&kid=120709&bid=263057&dat=121642 _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
