Hi Angel, > Christoph, how do you define "current coordinates"?
I mean the coordinates after performing a rotation / translation in contrast to the original coordinates in the protein file. I always want to start the rotation/ translation from the original PDB coordinates. This is probably not possible with the scripting interface because the rotate comands seem to refer to the current state. Probably I have all API methods I need. I can access and modify the coordinates of each PDB-model. I will use methods like: org.jmol.modelset.ModelSet ms=viewer.getModelSet(); String expr=iModel+".1"; BitSet bs=viewer.getAtomBitSet(expr); Changing: ms.setAtomCoord(11, 1.1f, 2.2f, 3.3f); Getting: Point3f p3f=ms.getAtomPoint3f(11) ; Angel, you can already be excited, I might have a working version by tmorrow. Updating to Jmol12 was indeed worth the effort, Cheers Christoph ------------------------------------------------------------------------------ The Next 800 Companies to Lead America's Growth: New Video Whitepaper David G. Thomson, author of the best-selling book "Blueprint to a Billion" shares his insights and actions to help propel your business during the next growth cycle. Listen Now! http://p.sf.net/sfu/SAP-dev2dev _______________________________________________ Jmol-developers mailing list Jmol-developers@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/jmol-developers
