[phenixbb] atom vdW dictionary for Python
pafonine at lbl.gov
Sat Jul 11 12:03:43 PDT 2015
this is what's used in cctbx for mask calculation:
On 7/11/15 02:10, David Shin wrote:
> 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.
More information about the phenixbb