Am 22.06.2013 13:56, schrieb Gudrun Colbow: > To whom it may concern, > > Jmol seems to have a feature that allows functional groups to be > highlighted. I am just building a web site that includes Jmol images. > Could you advise me how and where to introduce the highlight functional > groups function into my source so that I can choose a colour that > highlights the functional group(s) in my molecules? > > Thank you so much > > Gudrun Colbow > > ------------------------------------------------------------------------------ > This SF.net email is sponsored by Windows: > > Build for Windows Store. > > http://p.sf.net/sfu/windows-dev2dev > _______________________________________________ > Jmol-users mailing list > Jmol-users@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/jmol-users > As far as I know, Jmol does not have the said feature to highlight functional groups by itself. Where have you seen this behavior?
If you are referring to the site http://www.il-eco.uft.uni-bremen.de/ or http://oc-praktikum.de/ http://kriemhild.uft.uni-bremen.de/nop/ there I personally programmed this feature. But for it to work it requires a special - non-standard - version of pdb files, that include definitions of the functional groups for storing the molecules, and also some php-scripts. Other file formats than pdb do not have the necessary unused column to specify functional groups, so they won't work. Jmol does not know anything about which atoms belong to functional groups and which don't. If you are still interested in setting up a site that includes this feature, I can help you with the additions to the pdb files of the molecules and/or the php scripts needed. Dr. Reinhold Störmann ------------------------------------------------------------------------------ This SF.net email is sponsored by Windows: Build for Windows Store. http://p.sf.net/sfu/windows-dev2dev _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
