> Miguel, do you suppose the secret to solvent-accessible surfaces is to > express them in terms of isosurfaces?
This is the way that it is frequently done. I chose not to go down that path because I felt that the performance was unacceptable for proteins of any size. This marching-cubes algorithm that we are using for isosurfaces generates a huge number of triangles. That is fine if you have hardware to support your triangle rendering ... but we have a software graphics engine that is relatively slow at rendering triangles. So, this algorithm really gets slow when you have proteins of any size. That is why I avoided doing it. The path that I have (repeatedly) gone down is to use a different algorithm to generate the sasurface. HOWEVER ... I have not been able to come up with an implementation that doesn't have other problems. Put more bluntly, I have put a *lot* amount of effort into my 'better' algorithm over the past two years, and I have nothing to show for it. So, the marching-cubes algorithm for solvent-accessible surfaces would be better than nothing ... and today we have nothing. Miguel ------------------------------------------------------- All the advantages of Linux Managed Hosting--Without the Cost and Risk! Fully trained technicians. The highest number of Red Hat certifications in the hosting industry. Fanatical Support. Click to learn more http://sel.as-us.falkag.net/sel?cmd=lnk&kid7521&bid$8729&dat1642 _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
