Xponge.tools.unittests.test_3_charmm27

SPONGE 1.4 的 Xponge API 文档。

Xponge.tools.unittests.test_3_charmm27

This module includes unittests of the Xponge.forcefield.charmm27

subpackages

submodules

functions

test_protein

test the single point energy for residues of protein

test_dna

test the single point energy for residues of DNA

test_rna

test the single point energy for residues of RNA