Miguel,
The vanderWaals surface is useful to colour-code other information on it.
In Chime one can display the electrostatic potential (ESP) or the lipophilicity on the vdw-surface.
Especially the ESP is useful, but in Chime it turned out to be rather difficult to override the default charges that it assumed present in a molecule, and the colour range.
(I'm using past tense I notice!)
Does Jmol read the optional (4th) charge column in a XYZ file?
Moreover Chime read Gaussian cube files to plot orbitals, or the electron density.
Problem is that these are huge files, and Chime plotted only one phase of the orbital anyway so it was a rarely used option.
Orbital plotting would be very useful if a more compressed format was adopted for the 3D surface information.
Hens
I have a question regarding surfaces ...
Certainly there is a need for a Connolly surface ...
Q: Is there really any need to have a vanderWaals surface?
Q: What type of surface(s) does Chime support?
------------------------------------------------------- This SF.Net email is sponsored by: IntelliVIEW -- Interactive Reporting Tool for open source databases. Create drag-&-drop reports. Save time by over 75%! Publish reports on the web. Export to DOC, XLS, RTF, etc. Download a FREE copy at http://www.intelliview.com/go/osdn_nl _______________________________________________ Jmol-users mailing list Jmol-users@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-users
