Closed YGuangye closed 1 year ago
Hi mittinatten,
According to https://freesasa.github.io/doxygen/Geometry.html , the angle $2\pi - \gamma_s$ is always multiplied by $R_i$ to get the SASA of a atom.
2\pi - \gamma_s
R_i
I read the explanation there and thought that the SASA of atom $i$, $A_i$ was
i
A_i
$$ A_i = \delta \sums{R{i,s}^{'}(2\pi - \gamma_s)} $$
but this is not what FreeSASA do. You stated that
The angle is multiplied by $R_i$ (not $R_{i}^{'}$) to give the area of a conical frustum circumscribing the sphere at the slice.
R_{i}^{'}
and, unfortunately, I am struggling to undestand this. Could you give me some hints?
Thank you.
I have lost my notes from the derivation, but the clue is that we are calculating the area of a conical frustrum, not a cylinder.
Hi mittinatten,
According to https://freesasa.github.io/doxygen/Geometry.html , the angle $
2\pi - \gamma_s
$ is always multiplied by $R_i
$ to get the SASA of a atom.I read the explanation there and thought that the SASA of atom $
i
$, $A_i
$ was$$ A_i = \delta \sums{R{i,s}^{'}(2\pi - \gamma_s)} $$
but this is not what FreeSASA do. You stated that
and, unfortunately, I am struggling to undestand this. Could you give me some hints?
Thank you.