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SOAP potentials

MODELLER includes a number of statistically optimized atomic potentials (SOAP) [Dong et al., 2013]. Individual potentials are optimized for scoring and assessing protein-protein interfaces (`soap_pp`), loops (`soap_loop`), protein-peptide interactions (`soap_peptide`), and protein structures (`soap_protein_od`).

Subsections

- soap_loop.Scorer() — create a new scorer to evaluate SOAP-Loop energies
- soap_peptide.Scorer() — create a new scorer to evaluate SOAP-Peptide energies
- soap_pp.PairScorer() — create a new scorer to evaluate SOAP-PP pairwise energies
- soap_pp.AtomScorer() — create a new scorer to evaluate SOAP-PP atomistic energies
- soap_pp.Assessor() — assess with all components of the SOAP-PP score
- soap_protein_od.Scorer() — create a new scorer to evaluate SOAP-Protein-OD energies