Next:
gbsa.Scorer() create
Up:
MODELLER command reference
Previous:
group_restraints.append() read
Contents
Index
The
gbsa
module: implicit solvation
The
gbsa
module provides methods for scoring models with GB/SA implicit solvation. This is primarily used by the
dope_loopmodel()
class.
Born radii are calculated using the mAGB method [
Gallicchio & Levy, 2004
].
Subsections
gbsa.Scorer() -- create a new scorer to evaluate GB/SA energies
Automatic builds 2015-05-19
