Tests GenMeanFieldMover flexible-backbone packing use case
Aliza Rubenstein, aliza.rubenstein@gmail.com
The GenMeanFieldMover predicts an amino acid probability distribution (design) or a rotamer probability distribution (sc) for a given set of designed/packed residues (as determined by TaskOperations). This use case is on an ensemble of backbones with packing.
The test inputs include a set of protease-peptide complexes (these were generated by threading on different peptide substrates and then FastRelaxing them). Two residues are packed and then output log, which includes per-rotamer probabilities, is compared for each run.