angle constraints

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    • July 19, 2011 at 2:49 pm #979
      Anonymous

        Could someone please clarify the examples of angle constraints mentioned here:
        http://www.rosettacommons.org/manuals/archive/rosetta3.2.1_user_guide/constraint_file.html

        Specifically, in the example below, is 1.95 in radians or degrees?
        Angle CB 5 SG 5 ZN 32 HARMONIC 1.95 0.35

      • July 19, 2011 at 4:22 pm #5876
        Anonymous

          It appears to be in radians, not that it’s documented anywhere – but the actual angle is calculated via std::acos, which returns radians; so presumably the constraint value should also be in radians. I’ve updated the user guide but I don’t know when/if that change will propagate.

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