[Biopython] Getting side chain atoms?

[Frederico Moraes Ferreira]

Hi João and Ezgi,
That's a very nice piece code. I'll do some tests and let you know the 
results.
All the Best,
Fred

Em 31-05-2012 07:54, João Rodrigues escreveu:
> 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 
> <http://nmr.chem.uu.nl/%7Ejoao/f/geometry.py>
>
> Cheers,
>
> João