back-compatible changes to AWSEM to facilitate interface with VMD#31
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ftclark3 wants to merge 3 commits into
Open
back-compatible changes to AWSEM to facilitate interface with VMD#31ftclark3 wants to merge 3 commits into
ftclark3 wants to merge 3 commits into
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…hod to initialize from distance matrices
…e with the interactive frustratometer
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Description
I sometimes need different ways to initialize the
AWSEMclass. I first implemented these alternative initializers through subclasses of AWSEM, but I think you might like this classmethod approach better.Also,
change_conformation()is nice to have when we need to only partially re-initialize anAWSEMfollowing a change in the coordinates and nothing else.All changes are back-compatible and all tests are passing on my machine (except those related to the hmmer dependency)