The gbsa module: implicit solvation
Keywords: manual

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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