Merge pull request #605 from RosettaCommons/rfalford12/mp_foldtree_checks_and_new_utils
Updates to the RosettaMP Framework: FoldTrees, Tilt Angles & More
Membrane Utilities Classes:
Code: src/protocols/membrane/util.(hh/cc)
Unit Test: test/protocols/membrane/MembraneUtil.cxxtest.hh
Clean ups & Reorganization
= Merge methods in protocols/membrane/geometry/util.* and protocols/membrane/metrics.*
into a single util file in protocols/membrane
= Added significant documentation to all methods
= Consolidated unit tests MembraneMetrics + MembraneGeometryUtil into a single MembraneUtil
unit test suite
New Methods
= Added two methods for general IO: reading in a center / normal from the RosettaScripts
and command line interfaces. Aims to reduce code duplication.
= New methods for calculating the tilt angle between a TM helix and the membrane normal
= Methods for calculating
= More sophisticated method for calculating the axis of the helix
= FoldTree methods - check whether a membrane is fixed or moveable relative to the protein
TransformIntoMembraneMover Updates:
Location: src/protocols/membrane/TransformIntoMembraneMover.(hh/cc)
Unit Test: test/protocols/membrane/TransformIntoMembraneMover.cxxtest.hh
= New constructors for different types of transformations: user specified protein embeddings and membrane positions
= Checks for correct membrane foldtree setup
= Added test to TransformIntoMembraneMover that checks the angle between the protein embedding normal and membrane normal is zero after transformation
Test Changes:
Integration - mp_dock_setup, mp_transform, mp_find_interface - cosmetic tracer changes