Bob, this is most exciting news! Looking at all the recent posts on isosurfaces and orbitals, I was sure there has to be a good solution for sa-surfaces. And there you found it! I am going to research into the use of this for macromolecules. The first tries show that calculation of the surface is very slow, but saving to jvxl seems to help, avoiding that calculation on-the-fly. I stiil cannot do a surface for a protein, seems to hang Jmol, but will look into it more systematically and post my findings.
Now that I am at this, a novice question: (cube) isosurface files can be created by any other program apart from Gaussian? I haven't got access to this. _______________________________________________ Jmol-users mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-users
