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Dear Deepak,
the only atom type present in DNA and not in Proteins would be the
Phosphorus. You can probably add this to sc_radii.lib yourself with the line
***P* 1.80
the radius stems from http://en.wikipedia.org/wiki/Phosphorus and the
link to http://en.wikipedia.org/wiki/Van_der_Waals_radius provides you
with the reference.
The results will hardly differ if you modify this value within 100%, I
guess.
Cheers,
Tim
On 02/07/2012 04:19 AM, Deepak Thankappan Nair wrote:
Dear All
For calculation of the shape complementarity index using the Sc
program between a protein and DNA surface, does anybody have a
modified radii.lib file that includes information about DNA atoms?
Also, is there any reference that has information regarding the atomic
radii of DNA atoms?
thanks
Deepak
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Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
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