[Jmol-developers] JMol - Plugin

2006-05-19 Thread Mirko Kämpf
Dear JMol developer team, I am working on a programm that calculates the diffusioncoefficient of the atoms stored into a *.xyz file that was created by abinit-simulations. We use JMol to show the calculation results of our abinit calculations. No I want to integrate my little programm as a plugin

[Jmol-developers] Re: [Jmol-users] Isosurface and .cube files

2006-05-19 Thread Bob Hanson
Einar, look in and It's all explained there nicely by Miguel, and there are several links there. a

[Jmol-developers] Re: [Jmol-users] Jmol and AJAX -- simple demo / isosurfaces / orbitals

2006-05-19 Thread Bob Hanson
I don't think anything will speed up THAT applet! One of the major problems left to solve with Jmol is that it just does NOT seem possible to deal with surfaces in a fast, clean, effective way. The files are horrendously large, the calculations are mamouth. I've seen pages with just a few sma

Re: [Jmol-developers] Jmol and Memory -- Problem Fixed?

2006-05-19 Thread Bob Hanson
Rolf, what you describe IS the intended behavior of the conformation command. Sorry, I think I didn't make that clear. conformation by itself is supposed to do precisely what you wish, I think. (I see that I have a bug there -- will be fixed momentarily.) For example, say you have five mode

Re: [Jmol-developers] Jmol and Memory -- Problem Fixed?

2006-05-19 Thread Rolf Huehne
Bob Hanson wrote: > Rolf Huehne wrote: >> Bob Hanson wrote: >>> load "1vwh" "alt/1VWH.cif" "alt/1VWH.cif";color altloc;restrict >>> none;select *;cartoon on >>> model 1001;conformation 1 >>> model 2001;conformation 2 >>> model 0 >>> >>> Do you see what that is doing? >>> >>> >> >> >> It first loads