Temp decoy#24
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ftclark3 wants to merge 79 commits intocabb99:mainfrom
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…ctrostatics energy calculation
…ve been failing for a while)
…/DecoyEnsemble now working as expected
…ng the structures. this probably wasn't necessary
…rgies from the same frame as the sequence
…o do a lot more work
…eed to remove the total_energies, consider_total_energies, stds, and consider_stds tracking
Merge remote-tracking branch 'ftclark3/temp_decoy' into temp_decoy
…or function argument, not a module-level variable
….masked_indicators, but still need to clean a few things up; currently passing tests
…y evaluation instead of indicator assignment, same as for the direct, protein, and water potentials
…ll tests except the usual hmmer and pfam DCA issues
… still a work in progress. passing all tests except subselection and the usual dca failed ones that call external software
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Description
This branch splits the AWSEM class into AWSEM base and other classes that allow initializing from a matrix of indicator functions
Todos
Not ready to merge but has some interesting things in it
Questions
Status