AMBER Archive (2003)

Subject: Re: GB/SA

From: David A. Case (case_at_scripps.edu)
Date: Wed Apr 23 2003 - 14:36:56 CDT

On Wed, Apr 23, 2003, Robert G. Endres wrote:
>
> when doing a generalized Born/surface area calculation
> is there a way to differentiate between let's say the area of
> the side chain of an amino/nucleic acid and the part from the backbone?
>

This would require some code changes, but it should not be hard. There
are ways to get per-atom surface area contributions, which could then be
summed up in various ways.

..good luck....dac 

-- 

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David A. Case                     |  e-mail:      case_at_scripps.edu
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