[phenixbb] atom vdW dictionary for Python

David Shin davidsshin at lbl.gov
Sat Jul 11 02:10:12 PDT 2015


Hi -

I'm writing a Python script to measure the volume of pockets within protein
structures - plus extra bells and whistles... thus a custom job.

I was wondering just for speed, if someone could point me to values for van
der Waals radii that are somewhat agreed upon for protein atoms, or if
there is some dictionary already made that someone could point to that
resides in phenix or some other structural biology package that would be ok
for me to copy/use.

Thanks,

Dave
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