Uses of Package
ffx.algorithms.optimize.manybody
Packages that use ffx.algorithms.optimize.manybody
Package
Description
The Optimize package contains local and global optimization algorithms using pure Java and OpenMM
code paths.
The manybody package implements many-body rotamer optimization infrastructure,
including distance matrices, an energy expansion (self, two-body, three-body,
and four-body), Dead-end elimination criteria, Goldstein elimination criteria,
and supporting data structures for efficient optimization.
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Classes in ffx.algorithms.optimize.manybody used by ffx.algorithms.optimize
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Classes in ffx.algorithms.optimize.manybody used by ffx.algorithms.optimize.manybodyClassDescriptionCalculates a residue-residue distance matrix.Store all neighbors of a residue / rotamer pair.