「view this page in B3 βῆτα server」

Revisions №58992

branch: master 「№58992」
Commited by: Rocco Moretti
GitHub commit link: 「e28fde10bb3d7426」 「№1686」
Difference from previous tested commit:  code diff
Commit date: 2016-10-06 18:13:20

Merge pull request #1686 from RosettaCommons/roccomoretti/transform_randomizations Transform mover randomization tweaks The Transform mover in ligand docking has a pre-randomization step, but previously you were able to adjust the translational distance in this randomization, but not the magnitude of the rotational randomization. This adds an option which allows you to specify a maximal rotational magnitude (0-360 degrees, defaults to a full 360 randomization.). Also, the translational randomization was slightly skewed, sampling only one octant from the original position. I've changed the sampling method such that the random translation is uniformly in a sphere of the given maximal radius around the starting position. Integration test changes expected from XML-based ligand docking protocols, as this changes the random number pulls involved in setting up the ligand randomization. @darwinyfu Feel free to resolve the merge conflicts with your branch how you like.

...