Hi Frieda > > Solvent-accessible surfaces of macromolecules are what I am accustomed > to using vis Chime, hence what I am seeking to create. However I have > to admit that I am not aware of what the distinction is between > "isosurface" and solvent-accessible surface... > Isosurface became the name of the command in Jmol to generate surfaces, probably because the first surfaces were molecular orbitals. Orbitals do not have a particular size; the values of the function get smaller and smaller with distance from the molecule, and surfaces are created by connecting points with the same value. Hence isosurface. Same for electron density, for which an isosurface can be drawn that coincides more or less with the van der Waals surface. Or much smaller, or larger, depends on what feature you would like to show. To solvent accessible surfaces this doesn't apply. There is only one, given the radius of the solvent. However, all these surfaces, spheres and so on are currently created with the command isosurface.
Hens (At this time Bob is really crossing the ocean, but I wouldn't be surprised if he is reading his e-mail and working on Jmol. Or is it still out of the question to take a pencil, let alone your laptop with you?) ------------------------------------------------------------------------- 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
