ReliaSolve / Molprobity2

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Define how to identify Movers and ranges of motion for each #103

Closed russell-taylor closed 3 years ago

russell-taylor commented 3 years ago

Determine a fundamental definition for each Mover type and also the implementation within CCTBX that will be used to identify or approximately identify each. There may be a different approach for Amino/Nucleic Acids and other HET groups for each Mover.

Determine the allowable range of motion (state space) for each Mover. Determine how to parameterize each and what the default parameters will be for each.

russell-taylor commented 3 years ago

Initial implementation of this is done. Will adjust as needed.