With this code I try to zero coordinates so, the generator will be forced to
produce them.
On Friday 21 November 2008 15:51, Egon Willighagen wrote:
> On Fri, Nov 21, 2008 at 4:47 PM, Adel Golovin <[EMAIL PROTECTED]> wrote:
> > Even when I explicitly set all coordinates to 0:
> >
> > javax.vecmath.Point3d point3d = new javax.vecmath.Point3d();
> > Iterator<org.openscience.cdk.interfaces.IAtom> itatoms = mol.atoms();
> > while (itatoms.hasNext())
> > itatoms.next().setPoint3d(point3d);
>
> What are you trying to achieve with this code? It has nothing to do
> with the StructureDiagramGenerator which does not create 3D
> coordinates, but 2D.
>
> The first bit of code should set 2D coordinates which you can check with:
>
> for (IAtom atom : mol.atoms()) {
> Point2d coord2d = atom.getPoint2d();
> }
>
> Egon
--
Adel Golovin EMBL-EBI/PDBe 44 1223 492531 [EMAIL PROTECTED]
The primary developer of MSDmotif service
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