Rosetta
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Generates a (transmembrane) helix from a fasta file containing the sequence. More...
#include <HelixFromSequence.hh>
Public Member Functions | |
HelixFromSequence () | |
Constructors ///. More... | |
HelixFromSequence (HelixFromSequence const &src) | |
Copy constructor. More... | |
~HelixFromSequence () override | |
Destructor (important for properly forward-declaring smart-pointer members) More... | |
void | apply (core::pose::Pose &pose) override |
Mover Methods ///. More... | |
void | show (std::ostream &output=std::cout) const override |
Show the contents of the Mover. More... | |
std::string | get_name () const override |
Get the name of the Mover. More... | |
void | parse_my_tag (utility::tag::TagCOP tag, basic::datacache::DataMap &data) override |
Rosetta Scripts Support ///. More... | |
moves::MoverOP | fresh_instance () const override |
required in the context of the parser/scripting scheme More... | |
protocols::moves::MoverOP | clone () const override |
required in the context of the parser/scripting scheme More... | |
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Mover () | |
virtual MoverOP | create () |
MoverCOP | get_self_ptr () const |
MoverOP | get_self_ptr () |
MoverCAP | get_self_weak_ptr () const |
MoverAP | get_self_weak_ptr () |
Mover (std::string const &type_name) | |
sets the type for a mover; name_ has been removed (2010/05/14) More... | |
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... | |
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... | |
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... | |
MoverStatus | get_last_move_status () const |
end parser interface, start Job Distributor interface///////////// More... | |
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... | |
virtual core::pose::PoseOP | get_additional_output () |
Mechanism by which a mover may return multiple output poses from a single input pose. More... | |
void | set_type (std::string const &setting) |
Set the 'type' string. More... | |
std::string | get_type () const |
void | type (const std::string &type_in) |
Set the 'type' string. More... | |
std::string const & | type () const |
Get the set 'type' string. More... | |
virtual void | set_input_pose (PoseCOP pose) |
setter for poses contained for rms More... | |
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... | |
PoseCOP | get_input_pose () const |
PoseCOP | get_native_pose () const |
void | set_current_job (protocols::jobdist::BasicJobCOP job) |
jobdist::BasicJobCOP | get_current_job () const |
virtual void | set_current_tag (std::string const &new_tag) |
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... | |
virtual core::Real | last_proposal_density_ratio () |
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... | |
virtual Strings & | info () |
non-const accessor More... | |
virtual Strings const & | info () const |
const accessor More... | |
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... | |
Private Member Functions | |
void | register_options () |
register options More... | |
void | set_defaults () |
set defaults More... | |
void | init_from_cmd () |
init from commandline More... | |
Private Attributes | |
std::string | seq_ |
Fasta sequence. More... | |
bool | mem_ |
is it a membrane protein? More... | |
bool | opt_mem_ |
optimize membrane embedding via the scorefunction? More... | |
bool | skip_rlx_ |
skip relax run after building the helix? More... | |
Additional Inherited Members | |
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typedef utility::tag::TagCOP | TagCOP |
typedef core::pose::Pose | Pose |
typedef core::pose::PoseCOP | PoseCOP |
typedef std::list< std::string > | Strings |
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static std::string | name () |
static void | register_options () |
Overload this static method if you access options within the mover. More... | |
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void | set_last_move_status (MoverStatus status) |
nonvirtual setter for MoverStatus last_status_. Protected means that only the mover itself will be able to change its own status. The job distributor (august 08 vintage) is aware of status set with this function and will do what the MoverStatus says. More... | |
Generates a (transmembrane) helix from a fasta file containing the sequence.
protocols::membrane::HelixFromSequence::HelixFromSequence | ( | ) |
Constructors ///.
Default constructor
References init_from_cmd(), register_options(), and set_defaults().
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default |
Copy constructor.
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overridedefault |
Destructor (important for properly forward-declaring smart-pointer members)
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overridevirtual |
Mover Methods ///.
Apply the mover
Implements protocols::moves::Mover.
References core::scoring::ScoreFunctionFactory::create_score_function(), core::chemical::FA_STANDARD, core::pose::make_pose_from_sequence(), mem_, opt_mem_, core::pose::Pose::pdb_info(), protocols::antibody::design::relax, protocols::hybridization::score, seq_, core::pose::Pose::set_omega(), core::pose::Pose::set_phi(), core::pose::Pose::set_psi(), core::pose::Pose::size(), skip_rlx_, and protocols::TR().
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overridevirtual |
required in the context of the parser/scripting scheme
Reimplemented from protocols::moves::Mover.
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overridevirtual |
required in the context of the parser/scripting scheme
Reimplemented from protocols::moves::Mover.
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overridevirtual |
Get the name of the Mover.
Implements protocols::moves::Mover.
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private |
init from commandline
References mem_, opt_mem_, core::sequence::read_fasta_file(), seq_, skip_rlx_, and protocols::TR().
Referenced by HelixFromSequence().
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overridevirtual |
Rosetta Scripts Support ///.
parse XML tag (to use this Mover in Rosetta Scripts)
Reimplemented from protocols::moves::Mover.
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private |
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private |
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overridevirtual |
Show the contents of the Mover.
Reimplemented from protocols::moves::Mover.
References protocols::moves::Mover::show().
Referenced by protocols::membrane::operator<<().
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private |
is it a membrane protein?
Referenced by apply(), init_from_cmd(), and set_defaults().
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private |
optimize membrane embedding via the scorefunction?
Referenced by apply(), init_from_cmd(), and set_defaults().
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private |
Fasta sequence.
Referenced by apply(), init_from_cmd(), and set_defaults().
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private |
skip relax run after building the helix?
Referenced by apply(), init_from_cmd(), and set_defaults().