Wrapper for Rotamer Trials with Minimization, which modifies only rotamers whose energy changed by a given constant.
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| | EnergyCutRotamerTrialsMinMover () |
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| | EnergyCutRotamerTrialsMinMover (ScoreFunctionCOP scorefxn_in, PackerTask &task_in, protocols::moves::MonteCarloOP mc_in, core::Real energycut_in) |
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| | EnergyCutRotamerTrialsMinMover (ScoreFunctionCOP scorefxn_in, TaskFactoryCOP factory_in, protocols::moves::MonteCarloOP mc_in, core::Real energycut_in) |
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| | ~EnergyCutRotamerTrialsMinMover () override |
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| void | apply (core::pose::Pose &pose) override |
| | apply this mover to a pose More...
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| std::string | get_name () const override |
| | Each derived class must specify its name. The class name. More...
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| | RotamerTrialsMinMover () |
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| | RotamerTrialsMinMover (ScoreFunctionCOP scorefxn_in, PackerTask &task_in) |
| | constructor with PackerTask. use a PackerTask ONLY for fixed-sequence work. WARNING TO ANY DESIGNER WHO PASSES IN A TASK: YOUR DESIGN STEPS WILL BE UNDONE AS THIS TASK CONCEIVES OF THE INPUT SEQUENCE THAT CORRESPONDS TO THE ORIGINAL SEQUENCE More...
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| | RotamerTrialsMinMover (ScoreFunctionCOP scorefxn_in, TaskFactoryCOP factory_in) |
| | constructor with TaskFactory for producing the packer task More...
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| void | init () |
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| | ~RotamerTrialsMinMover () override |
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| void | show (std::ostream &output=std::cout) const override |
| | Outputs details about the Mover, including current settings. More...
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| void | score_function (core::scoring::ScoreFunctionCOP sf) |
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| void | task_factory (core::pack::task::TaskFactoryCOP tf) |
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| void | parse_my_tag (TagCOP, basic::datacache::DataMap &) override |
| | Parse XML for RosettaScripts. More...
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| protocols::moves::MoverOP | fresh_instance () const override |
| | Return a new mover instance (for RosettaScripts) More...
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| protocols::moves::MoverOP | clone () const override |
| | Return a copy of this mover instance (for RosettaScripts) More...
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| | Mover () |
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| virtual MoverOP | create () |
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| MoverCOP | get_self_ptr () const |
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| MoverOP | get_self_ptr () |
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| MoverCAP | get_self_weak_ptr () const |
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| MoverAP | get_self_weak_ptr () |
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| | Mover (std::string const &type_name) |
| | sets the type for a mover; name_ has been removed (2010/05/14) More...
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| virtual void | test_move (Pose &pose) |
| | : Unit test support function. Apply one move to a given pose. Allows extra test specific functions to be called before applying More...
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| virtual bool | reinitialize_for_each_job () const |
| | Inform the Job Distributor (August '08 vintage) whether this object needs to be freshly regenerated on each use. More...
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| virtual bool | reinitialize_for_new_input () const |
| | Inform the Job Distributor (August '08 vintage) whether this object needs to be regenerated when the input pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose). More...
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| MoverStatus | get_last_move_status () const |
| | end parser interface, start Job Distributor interface///////////// More...
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| void | reset_status () |
| | resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s. More...
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| virtual core::pose::PoseOP | get_additional_output () |
| | Mechanism by which a mover may return multiple output poses from a single input pose. More...
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| void | set_type (std::string const &setting) |
| | Set the 'type' string. More...
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| std::string | get_type () const |
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| void | type (const std::string &type_in) |
| | Set the 'type' string. More...
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| std::string const & | type () const |
| | Get the set 'type' string. More...
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| virtual void | set_input_pose (PoseCOP pose) |
| | setter for poses contained for rms More...
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| virtual void | set_native_pose (PoseCOP pose) |
| | setter for native poses contained for rms -— we should get rid of this method? it is widely used, but a bit unsafe More...
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| PoseCOP | get_input_pose () const |
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| PoseCOP | get_native_pose () const |
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| void | set_current_job (protocols::jobdist::BasicJobCOP job) |
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| jobdist::BasicJobCOP | get_current_job () const |
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| virtual void | set_current_tag (std::string const &new_tag) |
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| std::string | get_current_tag () const |
| | A tag is a unique identifier used to identify structures produced by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor. More...
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| virtual core::Real | last_proposal_density_ratio () |
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| virtual void | clear_info () |
| | Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file. More...
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| virtual Strings & | info () |
| | non-const accessor More...
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| virtual Strings const & | info () const |
| | const accessor More...
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| virtual void | provide_citation_info (basic::citation_manager::CitationCollectionList &) const |
| | Provide citations to the passed CitationCollectionList Subclasses should add the info for themselves and any other classes they use. More...
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Wrapper for Rotamer Trials with Minimization, which modifies only rotamers whose energy changed by a given constant.
Public Member Functions inherited from protocols::minimization_packing::RotamerTrialsMinMover