Protocol_MolecularDynamics Class Reference

Inheritance diagram for Protocol_MolecularDynamics:

Public Member Functions
	Protocol_MolecularDynamics (core::scoring::ScoreFunctionOP scorefxn_in)
virtual std::string	get_name () const
virtual moves::Mover *	clone ()
virtual void	apply (core::pose::Pose &inpose)
void	set_native_pose (core::pose::PoseOP &n_pose)

Protected Member Functions
float	rms_to_native (core::pose::Pose &pose)

Protected Attributes
core::scoring::ScoreFunctionOP	scorefxn_
core::pose::PoseOP	native_pose_
bool	native_set_

Constructor & Destructor Documentation

Protocol_MolecularDynamics()

Protocol_MolecularDynamics::Protocol_MolecularDynamics ( core::scoring::ScoreFunctionOP  scorefxn_in )

inline

Member Function Documentation

apply()

virtual void Protocol_MolecularDynamics::apply ( core::pose::Pose &  inpose )

inlinevirtual

References basic::options::OptionKeys::ddg::cartesian, utility::io::oc::cout, beta_nonlocal::mm, options, and beta_nonlocal::pose.

Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().

clone()

virtual moves::Mover* Protocol_MolecularDynamics::clone ( )

inlinevirtual

get_name()

virtual std::string Protocol_MolecularDynamics::get_name ( ) const

inlinevirtual

rms_to_native()

float Protocol_MolecularDynamics::rms_to_native ( core::pose::Pose &  pose )

protected

set_native_pose()

void Protocol_MolecularDynamics::set_native_pose ( core::pose::PoseOP &  n_pose )

inline

Referenced by main().

Member Data Documentation

native_pose_

core::pose::PoseOP Protocol_MolecularDynamics::native_pose_

protected

native_set_

bool Protocol_MolecularDynamics::native_set_

protected

scorefxn_

core::scoring::ScoreFunctionOP Protocol_MolecularDynamics::scorefxn_

protected

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The documentation for this class was generated from the following file:

• src/apps/pilot/mike/md.cc