Rosetta 3.4
Public Types | Public Member Functions | Protected Member Functions
protocols::simple_moves::WobbleMover Class Reference

A protocols::moves::Mover class for a classic-wobble analog: a smooth move followed by ccd closure a smooth fragment is chosen according to the FragmentCost Functor; a cutpoint is inserted just in front of or just after the fragment a loop is defined around the fragment and cutpoint to be closed with ccd: a cut_Cterm insertion: ----lfff bbb---- f: fragment_res b: buffer_res -: immovable residues a !cut_Cterm insertion: ---bbb fffl--- the number of b resiudes is controlled by buffer_length_ (default 3); the move is used by apply() (inherited from FragmentMover). the insertion and loop closure is implemented in the virtual method apply_fragment(). More...

#include <WobbleMover.hh>

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List of all members.

Public Types

typedef
protocols::simple_moves::SmoothFragmentMover 
Parent

Public Member Functions

 WobbleMover (core::fragment::FragSetCOP fragset, core::kinematics::MoveMapCOP movemap, protocols::simple_moves::FragmentCostOP cost)
 WobbleMover (core::fragment::FragSetCOP fragset, core::kinematics::MoveMapCOP movemap)
 ~WobbleMover ()
virtual std::string get_name () const
 Each derived class must specify its name. The class name.
void set_defaults ()
 set defaults
void set_buffer_length (core::Size setting)

Protected Member Functions

bool apply_fragment (core::fragment::Frame const &frame, core::Size frag_num, core::kinematics::MoveMap const &movemap, core::pose::Pose &pose) const
 make a wobble move ( smooth move + ccd loop closure ) NEEDS MORE WORK IF MULTIPLE CHAINS OR JUMPS ARE USED: total_residue!=end of chain
bool ccd_closure (core::pose::Pose &pose, protocols::loops::Loops const &loops, core::kinematics::MoveMap const &mm) const
 close loop and return if successful ( deviations smaller than thresholds )

Detailed Description

A protocols::moves::Mover class for a classic-wobble analog: a smooth move followed by ccd closure a smooth fragment is chosen according to the FragmentCost Functor; a cutpoint is inserted just in front of or just after the fragment a loop is defined around the fragment and cutpoint to be closed with ccd: a cut_Cterm insertion: ----lfff bbb---- f: fragment_res b: buffer_res -: immovable residues a !cut_Cterm insertion: ---bbb fffl--- the number of b resiudes is controlled by buffer_length_ (default 3); the move is used by apply() (inherited from FragmentMover). the insertion and loop closure is implemented in the virtual method apply_fragment().


Member Typedef Documentation


Constructor & Destructor Documentation

protocols::simple_moves::WobbleMover::WobbleMover ( core::fragment::FragSetCOP  fragset,
core::kinematics::MoveMapCOP  movemap,
protocols::simple_moves::FragmentCostOP  cost 
)

References set_defaults().

protocols::simple_moves::WobbleMover::WobbleMover ( core::fragment::FragSetCOP  fragset,
core::kinematics::MoveMapCOP  movemap 
)

References set_defaults().

protocols::simple_moves::WobbleMover::~WobbleMover ( )

Copy constructor disabled until the virtual base class ClassicFragmentMover's construction is sorted out


Member Function Documentation

bool protocols::simple_moves::WobbleMover::apply_fragment ( core::fragment::Frame const &  frame,
core::Size  frag_num,
core::kinematics::MoveMap const &  movemap,
core::pose::Pose pose 
) const [protected, virtual]

make a wobble move ( smooth move + ccd loop closure ) NEEDS MORE WORK IF MULTIPLE CHAINS OR JUMPS ARE USED: total_residue!=end of chain

Reimplemented from protocols::simple_moves::ClassicFragmentMover.

bool protocols::simple_moves::WobbleMover::ccd_closure ( core::pose::Pose pose,
protocols::loops::Loops const &  loops,
core::kinematics::MoveMap const &  mm 
) const [protected]

close loop and return if successful ( deviations smaller than thresholds )

References protocols::loops::Loops::begin(), and protocols::loops::loop_closure::ccd::fast_ccd_loop_closure().

std::string protocols::simple_moves::WobbleMover::get_name ( ) const [virtual]

Each derived class must specify its name. The class name.

Reimplemented from protocols::simple_moves::SmoothFragmentMover.

void protocols::simple_moves::WobbleMover::set_buffer_length ( core::Size  setting) [inline]
void protocols::simple_moves::WobbleMover::set_defaults ( ) [inline, virtual]

set defaults

Reimplemented from protocols::simple_moves::ClassicFragmentMover.

Referenced by WobbleMover().


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