[Chimera-users] occupancy calculations

Benjamin SCHWARZ schwarz.ben at gmail.com
Fri Nov 2 07:51:45 PDT 2012


> Hi Ben,
> 	I just added an option to MD Movie to allow atomic radii to be factored in.  The two options (other than the previous behavior which is also available) is to increment all grid cells within the atomic radii uniformly, or to increment those closer to the atomic center more.  The latter is a very simple scheme in that the "outermost" cells are incremented by 1, the next layer by 2, the next by 3, etc. with the center cell getting the highest increment.

Good, thanks :)

1. (newby question, sorry) I guess if I want to access that I'll have to download the latest night build ? 
2. In my case I play with fake Calpha PDB files, with radii stored in the B factor… I guess I'll have to change the radii of my fake atoms manually in chimera. How can I do that ?

     --Ben


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