From: pim s. <pim...@go...> - 2007-09-20 21:05:10
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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 <pim...@go...> wrote: > On 9/20/07, Bob Hanson <ha...@st...> 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 |