Didn't check it yet in povray, but I think this goes in the right
direction, and most important, without having to convert to integer
coordinates at some point (ouch!):
public void renderAtom(Atom atom, short colix) {
Point3f point1 = new Point3f();
String color = rgbFractionalFromColix(colix, ',');
float r = atom.getMadAtom() / 2000f;
// both arguments to transformPoint are float therefore:
// going from angstrom to floating point screen value (= using
perspective)
viewer.transformPoint(atom,point1);
// (float) is superfluous here then:
float x = (float)point1.x;
float y = (float)point1.y;
float z = (float)point1.z;
output.append("atom("+x+","+y+","+z+","+r+","+color+")\n");
nBalls++;
}
On 9/20/07, pim schravendijk <[EMAIL PROTECTED]> wrote:
> On 9/20/07, Bob Hanson <[EMAIL PROTECTED]> wrote:
> > No, because when you generate the Povray image you want the perspective
> > you see in Jmol, not something that you would later have to manipulate.
> > The main problem is the multiple bond issue.
>
> Well, to be honest, I need povray exports from jmol exactly for
> manipulation later on (combining and aligning several molecules in one
> image, adding a background, fancy lighting effects, etc.
>
> http://www.molmod.com/~schraven/povray-example1.jpg
> http://www.molmod.com/~schraven/povray-example2.jpg
>
> As long as with 'perspective off' in jmol it still gives me the pure
> xyz coordinates, I am happy though.
--
Greetings, Pim
http://www.molmod.com
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