[Biopython] Getting side chain atoms?

[João Rodrigues]

I included the header already as a biopython module, since parts of this
script are my work at GSOC 2010, and others are Ezgi's independent work
that she agreed to contribute. Just a safety measure :)

The usage of the code is very simple. Parse a structure with biopython and
use the calculate_shape_param function of this geometry module to calculate
all values required to compute the shape of your molecule. It will not tell
you what shape it is, but it will give you all the ingredients (if the
anisotropy is 0, your molecule is spherical, for example).

Let me know of any comments, and Ezgi too, as she is the main contributor
to this.

*Again, this should not be included, for now, in the main distribution, nor
considered an "official" addition.
*

Download here: http://nmr.chem.uu.nl/~joao/f/geometry.py

Cheers,

João