Rosetta
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Public Member Functions | |
XMLprinterMover () | |
virtual void | apply (core::pose::Pose &pose) |
virtual protocols::moves::MoverOP | clone () const |
virtual std::string | get_name () const |
virtual protocols::moves::MoverOP | fresh_instance () const |
core::pack::task::TaskFactoryOP | setup_tf (core::pack::task::TaskFactoryOP task_factory) |
load custom TaskOperations according to an xml-like utility::tag file More... | |
std::set< core::Size > | fill_designable_set (core::pose::Pose &pose, core::pack::task::TaskFactoryOP &tf) |
return the set of residues that are designable based given pose More... | |
std::set< core::Size > | fill_packable_set (core::pose::Pose &pose, core::pack::task::TaskFactoryOP &tf) |
return the set of residues that are packable based given pose More... | |
void | write_output_file (core::pose::Pose &pose, std::string filename, std::set< core::Size > design_set, std::set< core::Size > packable_set) |
, write individual files for each input structure More... | |
Private Attributes | |
scoring::ScoreFunctionOP | scorefxn_ |
bool | output_files_ |
bool | pymol_selection_ |
XMLprinterMover::XMLprinterMover | ( | ) |
References XMLprinter::make_individual_files, option, and XMLprinter::print_pymol_selection.
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virtual |
References lactamize::filename, fill_designable_set(), predPRE::pdbname, beta_nonlocal::pose, setup_tf(), and TR.
Referenced by pyrosetta.distributed.tasks.rosetta_scripts.BaseRosettaScriptsTask::execute().
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inlinevirtual |
std::set< Size > XMLprinterMover::fill_designable_set | ( | core::pose::Pose & | pose, |
core::pack::task::TaskFactoryOP & | tf | ||
) |
return the set of residues that are designable based given pose
References create_a3b_hbs::ii, beta_nonlocal::pose, test.G200_Module_Region::tf, and TR.
std::set< Size > XMLprinterMover::fill_packable_set | ( | core::pose::Pose & | pose, |
core::pack::task::TaskFactoryOP & | tf | ||
) |
return the set of residues that are packable based given pose
References create_a3b_hbs::ii, beta_nonlocal::pose, test.G200_Module_Region::tf, and TR.
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inlinevirtual |
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inlinevirtual |
core::pack::task::TaskFactoryOP XMLprinterMover::setup_tf | ( | core::pack::task::TaskFactoryOP | task_factory | ) |
load custom TaskOperations according to an xml-like utility::tag file
References subloop_histogram::iterator, option, optE::parse_tagfile(), test.G204_Module_ScoreAnalysis::tops, and basic::options::OptionKeys::inout::dbms::user.
void XMLprinterMover::write_output_file | ( | core::pose::Pose & | pose, |
std::string | filename, | ||
std::set< core::Size > | design_set, | ||
std::set< core::Size > | packable_set | ||
) |
, write individual files for each input structure
References utility::io::ozstream::close(), end, lactamize::filename, utility::io::ozstream::open(), localrmsd::output_name, beta_nonlocal::pose, and TR.
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private |
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private |
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private |