From: Egon W. <eg...@us...> - 2005-05-10 13:28:30
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On Tuesday 10 May 2005 03:10 pm, Rajarshi Guha wrote: > On Tue, 2005-05-10 at 07:36 +0200, Egon Willighagen wrote: > > Does it calculate triangles given as set of points in space? If not, with > > what information does it start, and what thus is calculate in which order > > to achieve the surface? > > It's based on the simplified version of the DCLM method by Eisenhaber et > al. (J. Comp. Chem., 19995, 16, 273-284) described by Peter McCluskey in > the MMTK. I ask this, because with Jmol we have the problem that we have a surface defined by points in space. But no connectivity. Therefore, the Jmol project needs an implementation that can convert this set of unconnected points into a set of points where all points have three neighbors on the surface, i.e. triangles are defined for that surface. Egon |