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Rosetta
2021.07
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Classes | |
class | CalculatorMetric |
A metric which can combine other metrics. More... | |
class | CalculatorMetricCreator |
class | DihedralDistanceMetric |
A metric to calculate the dihedral distance between two poses. Can set a subset of residues to calculate via ResidueSelector. More... | |
class | DihedralDistanceMetricCreator |
class | InteractionEnergyMetric |
Calculate the interaction energy between residues in two ResidueSelectors in a single pose, including long-range interactions. Pose should be scored! More... | |
class | InteractionEnergyMetricCreator |
class | ResidueSummaryMetric |
A SimpleMetric that takes a PerResidueRealMetric and calculates different summaries of the overall data. More... | |
class | ResidueSummaryMetricCreator |
class | RMSDMetric |
A metric to calculate the RMSD between two poses. Can set a subset of residues to calculate via ResidueSelector. More... | |
class | RMSDMetricCreator |
class | SasaMetric |
A Metric to cacluate overall sasa of a pose. More... | |
class | SasaMetricCreator |
class | SecondaryStructureMetric |
A SimpleMetric to output the secondary structure of the protein or residues selected by a residue selector. Uses DSSP. More... | |
class | SecondaryStructureMetricCreator |
class | SelectedResidueCountMetric |
A SimpleMetric that counts the number of residues in a residue selection. More... | |
class | SelectedResidueCountMetricCreator |
class | SelectedResiduesMetric |
Output residue-selected residues to a score file as rosetta resnums or pdbnums. More... | |
class | SelectedResiduesMetricCreator |
class | SelectedResiduesPyMOLMetric |
A utility metric to output a string of selected residues from a residue selector as a pymol selection. More... | |
class | SelectedResiduesPyMOLMetricCreator |
class | SequenceMetric |
A SimpleMetric to output the single-letter OR three-letter sequence of a protein or subset of positions/regions using a ResidueSelector. More... | |
class | SequenceMetricCreator |
class | SequenceSimilarityMetric |
compares the sequences of the native structure (using native flag) to the sequence of a given pose using BLOSUM 62. More... | |
class | SequenceSimilarityMetricCreator |
class | TimingProfileMetric |
Calculate the time difference between construction and apply/calculate. Useful to time protocols in RosettaScripts or through mover containers. More... | |
class | TimingProfileMetricCreator |
class | TotalEnergyMetric |
A metric to report the total energy of the system or the delta total energy between another input pose. More... | |
class | TotalEnergyMetricCreator |
Typedefs | |
using | CalculatorMetricOP = utility::pointer::shared_ptr< CalculatorMetric > |
using | CalculatorMetricCOP = utility::pointer::shared_ptr< CalculatorMetric const > |
typedef utility::pointer::shared_ptr < DihedralDistanceMetric > | DihedralDistanceMetricOP |
typedef utility::pointer::shared_ptr < DihedralDistanceMetric const > | DihedralDistanceMetricCOP |
typedef utility::pointer::shared_ptr < InteractionEnergyMetric > | InteractionEnergyMetricOP |
typedef utility::pointer::shared_ptr < InteractionEnergyMetric const > | InteractionEnergyMetricCOP |
typedef utility::pointer::shared_ptr < ResidueSummaryMetric > | ResidueSummaryMetricOP |
typedef utility::pointer::shared_ptr < ResidueSummaryMetric const > | ResidueSummaryMetricCOP |
typedef utility::pointer::shared_ptr < RMSDMetric > | RMSDMetricOP |
typedef utility::pointer::shared_ptr < RMSDMetric const > | RMSDMetricCOP |
typedef utility::pointer::shared_ptr < SasaMetric > | SasaMetricOP |
typedef utility::pointer::shared_ptr < SasaMetric const > | SasaMetricCOP |
typedef utility::pointer::shared_ptr < SecondaryStructureMetric > | SecondaryStructureMetricOP |
typedef utility::pointer::shared_ptr < SecondaryStructureMetric const > | SecondaryStructureMetricCOP |
typedef utility::pointer::shared_ptr < SelectedResidueCountMetric > | SelectedResidueCountMetricOP |
typedef utility::pointer::shared_ptr < SelectedResidueCountMetric const > | SelectedResidueCountMetricCOP |
typedef utility::pointer::shared_ptr < SelectedResiduesMetric > | SelectedResiduesMetricOP |
typedef utility::pointer::shared_ptr < SelectedResiduesMetric const > | SelectedResiduesMetricCOP |
typedef utility::pointer::shared_ptr < SelectedResiduesPyMOLMetric > | SelectedResiduesPyMOLMetricOP |
typedef utility::pointer::shared_ptr < SelectedResiduesPyMOLMetric const > | SelectedResiduesPyMOLMetricCOP |
typedef utility::pointer::shared_ptr < SequenceMetric > | SequenceMetricOP |
typedef utility::pointer::shared_ptr < SequenceMetric const > | SequenceMetricCOP |
typedef utility::pointer::shared_ptr < SequenceSimilarityMetric > | SequenceSimilarityMetricOP |
typedef utility::pointer::shared_ptr < SequenceSimilarityMetric const > | SequenceSimilarityMetricCOP |
using | minutes_timing = duration< float, std::ratio< 60, 1 >> |
using | hours_timing = duration< float, std::ratio< 3600, 1 >> |
typedef utility::pointer::shared_ptr < TimingProfileMetric > | TimingProfileMetricOP |
typedef utility::pointer::shared_ptr < TimingProfileMetric const > | TimingProfileMetricCOP |
typedef utility::pointer::shared_ptr < TotalEnergyMetric > | TotalEnergyMetricOP |
typedef utility::pointer::shared_ptr < TotalEnergyMetric const > | TotalEnergyMetricCOP |
Enumerations | |
enum | summary_type { sum = 1, mean, n_res_eq, n_res_ne, n_res_gt, n_res_lt, n_res_gt_or_eq, n_res_lt_or_eq, bogus, summary_type_total = bogus } |
Enum that tells us HOW to summarize the PerResidueMetric data. More... | |
enum | SequenceMetricMode { SMM_ONELETTER_CODE =1, SMM_THREELETTER_CODE, SMM_BASE_NAME, SMM_FULL_NAME, SMM_INVALID_MODE, SMM_END_OF_LIST = SMM_INVALID_MODE } |
The mode for this metric. If you add to this list, be sure to update the map associating this enum with corresponding strings in the .cc file. More... | |
Functions | |
utility::vector1< std::string > | get_summary_type_strings () |
static const std::map < std::string, summary_type > | summary_string_to_type ({{"sum", sum},{"mean", mean},{"n_res_eq", n_res_eq},{"n_res_ne", n_res_ne},{"n_res_lt", n_res_lt},{"n_res_gt", n_res_gt},{"n_res_lt_or_eq", n_res_lt_or_eq},{"n_res_gt_or_eq", n_res_gt_or_eq}}) |
static const std::map < SequenceMetricMode, std::string > | mode_to_name_map_ ({{SMM_ONELETTER_CODE,"oneletter"},{SMM_THREELETTER_CODE,"threeletter"},{SMM_BASE_NAME,"basename"},{SMM_FULL_NAME,"fullname"},{SMM_INVALID_MODE,"INVALID"}}) |
The map of enum to name. More... | |
using core::simple_metrics::metrics::CalculatorMetricCOP = typedef utility::pointer::shared_ptr< CalculatorMetric const > |
using core::simple_metrics::metrics::CalculatorMetricOP = typedef utility::pointer::shared_ptr< CalculatorMetric > |
typedef utility::pointer::shared_ptr< DihedralDistanceMetric const > core::simple_metrics::metrics::DihedralDistanceMetricCOP |
typedef utility::pointer::shared_ptr< DihedralDistanceMetric > core::simple_metrics::metrics::DihedralDistanceMetricOP |
using core::simple_metrics::metrics::hours_timing = typedef duration< float, std::ratio< 3600, 1>> |
typedef utility::pointer::shared_ptr< InteractionEnergyMetric const > core::simple_metrics::metrics::InteractionEnergyMetricCOP |
typedef utility::pointer::shared_ptr< InteractionEnergyMetric > core::simple_metrics::metrics::InteractionEnergyMetricOP |
using core::simple_metrics::metrics::minutes_timing = typedef duration< float, std::ratio< 60, 1 >> |
typedef utility::pointer::shared_ptr< ResidueSummaryMetric const > core::simple_metrics::metrics::ResidueSummaryMetricCOP |
typedef utility::pointer::shared_ptr< ResidueSummaryMetric > core::simple_metrics::metrics::ResidueSummaryMetricOP |
typedef utility::pointer::shared_ptr< RMSDMetric const > core::simple_metrics::metrics::RMSDMetricCOP |
typedef utility::pointer::shared_ptr< RMSDMetric > core::simple_metrics::metrics::RMSDMetricOP |
typedef utility::pointer::shared_ptr< SasaMetric const > core::simple_metrics::metrics::SasaMetricCOP |
typedef utility::pointer::shared_ptr< SasaMetric > core::simple_metrics::metrics::SasaMetricOP |
typedef utility::pointer::shared_ptr< SecondaryStructureMetric const > core::simple_metrics::metrics::SecondaryStructureMetricCOP |
typedef utility::pointer::shared_ptr< SecondaryStructureMetric > core::simple_metrics::metrics::SecondaryStructureMetricOP |
typedef utility::pointer::shared_ptr< SelectedResidueCountMetric const > core::simple_metrics::metrics::SelectedResidueCountMetricCOP |
typedef utility::pointer::shared_ptr< SelectedResidueCountMetric > core::simple_metrics::metrics::SelectedResidueCountMetricOP |
typedef utility::pointer::shared_ptr< SelectedResiduesMetric const > core::simple_metrics::metrics::SelectedResiduesMetricCOP |
typedef utility::pointer::shared_ptr< SelectedResiduesMetric > core::simple_metrics::metrics::SelectedResiduesMetricOP |
typedef utility::pointer::shared_ptr< SelectedResiduesPyMOLMetric const > core::simple_metrics::metrics::SelectedResiduesPyMOLMetricCOP |
typedef utility::pointer::shared_ptr< SelectedResiduesPyMOLMetric > core::simple_metrics::metrics::SelectedResiduesPyMOLMetricOP |
typedef utility::pointer::shared_ptr< SequenceMetric const > core::simple_metrics::metrics::SequenceMetricCOP |
typedef utility::pointer::shared_ptr< SequenceMetric > core::simple_metrics::metrics::SequenceMetricOP |
typedef utility::pointer::shared_ptr< SequenceSimilarityMetric const > core::simple_metrics::metrics::SequenceSimilarityMetricCOP |
typedef utility::pointer::shared_ptr< SequenceSimilarityMetric > core::simple_metrics::metrics::SequenceSimilarityMetricOP |
typedef utility::pointer::shared_ptr< TimingProfileMetric const > core::simple_metrics::metrics::TimingProfileMetricCOP |
typedef utility::pointer::shared_ptr< TimingProfileMetric > core::simple_metrics::metrics::TimingProfileMetricOP |
typedef utility::pointer::shared_ptr< TotalEnergyMetric const > core::simple_metrics::metrics::TotalEnergyMetricCOP |
typedef utility::pointer::shared_ptr< TotalEnergyMetric > core::simple_metrics::metrics::TotalEnergyMetricOP |
utility::vector1< std::string > core::simple_metrics::metrics::get_summary_type_strings | ( | ) |
References summary_string_to_type().
Referenced by core::simple_metrics::metrics::ResidueSummaryMetric::provide_xml_schema().
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The map of enum to name.
Referenced by core::simple_metrics::metrics::SequenceMetric::mode_name_from_enum().
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