hi, I have a set of charge values for atoms in a pdb file. I'd like to color the structure according to those charges, but I'm a bit confused how to do that. I have this, from an email in march 2007:
> Jmol 11.1.18 will allow a broad range of customized colorings for > isosurfaces as well as new capabilities for labels. Basically you can > read in any number of sets of atom-based data (charges, distances > from a > given point, anything) and then you can display that either in a label > or as a coloration of an isosurface. It's very simple: > > 1) In a file, construct a list of the numbers you want to associate > with > atoms. Just any list separated by lines or spaces or tabs -- any white > space is fine. Just numbers. It does not have to be for ALL the atoms, > just whatever ones you wish to SELECT. > > 2.5 2e-3 > -2.54 3 6 > etc. I grasp how to load the external dataset into Jmol, but how do I associate a particular charge with the correct atom? for example: atomnum charge 1 -0.33 2 0.32 3 0.55 4 -0.55 5 0 thanks for any help, tim -- Timothy Driscoll em: [EMAIL PROTECTED] Virginia Bioinformatics Institute ph: 540-231-3007 Bioinformatics I: M-1 im: molvisions Washington St., Blacksburg, VA 24061 04-16-07. We will not forget you. ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
