Re: [Jmol-users] fragmented 'cavity' isosurfaces

[Alexander R. <ale...@we...>]

Hi,

Am 21.12.2010 um 16:46 schrieb Robert Hanson:
> The gridpoints are cleared from memory after use, and in many cases they are "streamed" so as never to accumulate. But do you perhaps mean the vertices of the triangles that make up the surface? You do have access to those points: 
> 
> print $isosurface1[1]
> 
> This displays the coordinate of the first point in the triangulation. The total number of vertices can be obtained using 
> 
> Var x = getProperty("shapeinfo.isosurface",1,"vertexCount")
> 
> Added to Jmol 12.1.27 also now is:
> 
> Var x = $isosurface1.length
> 
> This reports a point such as {1.0, 2.0, 4650.0} that indicates (x) the number associated with this isosurface, (y) the total number of isosurfaces, and (z) the total number of vertices. 
> 

I drew them (http://dl.dropbox.com/u/3778149/1crn_surface-points.jmol) and notices that there are a lot of points in addition to the vertices of the triangles that make up the surface. What are they? Can I get rid of them?

Is there a way to get only the vertices of a specific fragment?

What surface in terms of an 'isosurface' command do 'calculate SURFACEDISTANCE FROM/WITHIN' use? Or is this based on some other calculation?


Best
Alexander

> 
> Best
> Alexander
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