PCSTensorOptimizer.hh File Reference

class that performs optimization of the lanthanide coordinates and other components of the PCSTensor in the laboratory frame. Used in combination with PCS grid search and SVD. More...

#include <protocols/nmr/pcs/PCSTensorOptimizer.fwd.hh>
#include <core/scoring/nmr/pcs/PCSSingleSet.fwd.hh>
#include <core/optimization/Multifunc.hh>
#include <core/optimization/types.hh>
#include <core/types.hh>
#include <basic/Tracer.fwd.hh>
#include <utility/vector1.hh>
#include <numeric/xyzVector.fwd.hh>
#include <ObjexxFCL/FArray2D.hh>
#include <ObjexxFCL/FArray1D.hh>
#include <cmath>

Classes
class	protocols::nmr::pcs::PCSTensorOptimizer

Namespaces
	protocols
	The instance of Loops contained by AbrelaxApplication should be replaced by a LoopsOP.
	protocols::nmr
	protocols::nmr::pcs

Detailed Description

class that performs optimization of the lanthanide coordinates and other components of the PCSTensor in the laboratory frame. Used in combination with PCS grid search and SVD.

last Modified: 07/05/16

Author

Georg Kuenze (georg.nosp@m..kue.nosp@m.nze@v.nosp@m.ande.nosp@m.rbilt.nosp@m..edu)