I'm wondering if anyone out there knows of a software package for any
platform which will inable you to take a set of crystal coordinates for a
protein, set some arbitray point in the center of the protein as the
origin, and then given a randon direction, calculate the distance from the
center of the protein to the surface.
from the center of the protein, how far is it to the sufrace along an
anlge 30 degrees to the x-axis and 94 degrees to the z axis?
Alternately a program that creates and saves a surface vector map of the
protein would be useful, or one that creates a space filling model of the
protein from crystal data, where the sufrace coordinates themselves can
then be saved as a file.
I'd need to do this for a large number of proteins, and in large numbers
of random directions, so calling the structures up on a graphics terminal
and finding the distances manually is not an option.
I appreciate any help anyone can provide. Please e-mail replies to me, as
I do not usually read this news group.
Jon A Christopher.