User 75785d5d15
06-04-2005 23:05:15
I'm trying to generate 2D pictures for 3D molecules. The code I am using is this:
JChemMolecule molecule = cloneJChemMolecule();
dearomatize();
hydrogenize(false);
molecule.clean(2,"");
return (Image) molecule.toObject(IMAGE_FORMAT);
Most images look fine, except for molecules such as heme (see attached sdf). In the picture, bonds are crossed, and the molecule isn't recognizable. Are there other options I can use to make better images?
Thanks,
Joe
JChemMolecule molecule = cloneJChemMolecule();
dearomatize();
hydrogenize(false);
molecule.clean(2,"");
return (Image) molecule.toObject(IMAGE_FORMAT);
Most images look fine, except for molecules such as heme (see attached sdf). In the picture, bonds are crossed, and the molecule isn't recognizable. Are there other options I can use to make better images?
Thanks,
Joe