[Chimera-users] robust molecular surface calculation
berenger at riken.jp
Tue Feb 19 18:10:25 PST 2013
Is there any plan to plug some alternative molecular surface calculation
algorithm into chimera?
I have seen some interesting articles about isosurface and gaussian
"Yu, Z., Jacobson, M. P. and Friesner, R. A. (2006), What role do
surfaces play in GB models? A new-generation of surface-generalized born
model based on a novel gaussian surface for biomolecules. J. Comput.
Chem., 27: 72–89. doi: 10.1002/jcc.20307"
"What role do surfaces play in GB models? A new-generation of
surface-generalized born model based on a novel gaussian surface for
The algorithm looks simple, robust and even parallelizable.
I kind of guess that's the algorithm used in MOE when I look
at their triangulation.
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