> Q: Within a solvent-accessible-surface, when the solvent probe is turned > on, there is a 'saddle' shape that is generated when the exterior surface > of two atoms is closer than the probe diameter (because the probe won't > pass between them). Should this saddle shape be split in half so that each > part is associated with an atom (for selection and off/on purposes)?
Egon, I see that you previously put a comment/question in the bug database regarding this. Currently, the 'saddles' are stored as a torus with some angles. But they are stored independently and are not actually associated with either atom. As you suggest, it may be better to split these tori segments in half and associate each of the pieces with an atom. We have the same problem with the concave shapes (holes?) that are formed when the probe sphere sits on top of three atom spheres. We would need to divide the spherical triangle (?) into three pieces and associate them with the closest atom. Miguel ------------------------------------------------------- This SF.Net email sponsored by Black Hat Briefings & Training. Attend Black Hat Briefings & Training, Las Vegas July 24-29 - digital self defense, top technical experts, no vendor pitches, unmatched networking opportunities. Visit www.blackhat.com _______________________________________________ Jmol-developers mailing list [EMAIL PROTECTED] https://lists.sourceforge.net/lists/listinfo/jmol-developers
