Hi Bob,
thanks so much,
viewer.scriptWait( ... ) would work in principle but there is a performance
bug in jmol:
The of scriptWait leads to a repaint of the JPanel.
Here is the stack trace:
at org.jmol.viewer.Viewer.repaint(Unknown Source)
at org.jmol.viewer.RepaintManager.popHoldRepaint(Unknown Source)
at org.jmol.viewer.Viewer.popHoldRepaint(Unknown Source)
at org.jmol.script.ScriptEvaluator.evaluateCompiledScript(Unknown
Source)
But the bit-set method that you proposed works nicely for me.
And this also gives me the right idea of how to perform the 3D-transformation:
The BitSet tells me the atoms and then I can apply the transformation to each
atom.
Unless there is already a ready-to-use script command.
What about "rotate"? Would this be applicable?
It can rotate around axes but does it also take a matrix + translation vektor?
For this purpuse I will not use the built in superpositon beccause STRAP
already has four different superposition methods
and the state of the JMol-view should always be synchronized with what is in
STRAP.
But perhaps, the 3d-superposition algorithm implemented in JMol could be used
as a 5th option in STRAP?
Is it a method of its own or is it one of the many superposition algorithms
around?
How does it compare e.g. to CE/CL?
Regards
Christoph
------------------------------------------------------------------------------
Achieve Improved Network Security with IP and DNS Reputation.
Defend against bad network traffic, including botnets, malware,
phishing sites, and compromised hosts - saving your company time,
money, and embarrassment. Learn More!
http://p.sf.net/sfu/hpdev2dev-nov
_______________________________________________
Jmol-developers mailing list
[email protected]
https://lists.sourceforge.net/lists/listinfo/jmol-developers
