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PabloPablo 

How calculate the volume of each residue of a protein?

Hi everyone,

I would like to calculate (using script) the volume of each aminoacid residue of a protein. Is it possible using script to do this? I' ve tried used the connoly surface, but I think it's not possible to calculate it just for a part of the whole protein structure. Another way is consider the residue volume as the sum of its atoms volume, but the result is very different from connoly surface. Is there another way?

Thanks,
Pablo  
Jason DeJoannisJason DeJoannis
You might want to review the literature on methodology for this. Here is an interesting starting point.
http://www.indiana.edu/~clemmer/Publications/pubs/pub%20051.pdf
 
PabloPablo
Thanks for your reply, Jason. It's common use Voronoi diagrama to calculate the residues volume, but I think the Materials studio doens't have tools to perform that.