Index

B

BaseQuantity (class in proteka.quantity.quantity)

C

ca_clashes() (proteka.metrics.calculator.StructuralIntegrityMetrics static method) ca_pseudobonds() (proteka.metrics.calculator.StructuralIntegrityMetrics static method) compute() (proteka.metrics.calculator.EnsembleQualityMetrics method) (proteka.metrics.calculator.IMetrics method) (proteka.metrics.calculator.StructuralIntegrityMetrics method)

compute_metric() (proteka.metrics.calculator.EnsembleQualityMetrics static method) convert_unit_to_() (proteka.quantity.quantity.BaseQuantity method)

E

Ensemble (class in proteka.dataset)

EnsembleQualityMetrics (class in proteka.metrics.calculator)

F

from_config() (proteka.metrics.calculator.EnsembleQualityMetrics class method) from_hdf5() (proteka.dataset.Ensemble class method) (proteka.quantity.quantity.Quantity static method)

from_mdtraj_trj() (proteka.dataset.Ensemble static method)

G

general_clashes() (proteka.metrics.calculator.StructuralIntegrityMetrics static method) get_all_in_one_mdtraj_trj() (proteka.dataset.Ensemble method)

get_mdtraj_trjs() (proteka.dataset.Ensemble method) get_quantity() (proteka.dataset.Ensemble method) get_unit() (proteka.dataset.Ensemble method)

I

IMetrics (class in proteka.metrics.calculator)

in_unit_of() (proteka.quantity.quantity.BaseQuantity method) is_unit_convertible_with() (proteka.quantity.quantity.BaseQuantity method)

L

list_quantities() (proteka.dataset.Ensemble method)

N

n_atoms (proteka.dataset.Ensemble property) n_frames (proteka.dataset.Ensemble property)

n_frames_per_trj (proteka.dataset.Ensemble property) n_trjs (proteka.dataset.Ensemble property)

P

parse_config() (proteka.metrics.calculator.EnsembleQualityMetrics static method)

Q

Quantity (class in proteka.quantity.quantity)

R

raw_value (proteka.quantity.quantity.BaseQuantity property)

register_trjs() (proteka.dataset.Ensemble method)

S

set_quantity() (proteka.dataset.Ensemble method)

StructuralIntegrityMetrics (class in proteka.metrics.calculator)

T

to_quantity_with_unit() (proteka.quantity.quantity.BaseQuantity method) top (proteka.dataset.Ensemble property) topology (proteka.dataset.Ensemble property)

trajectories (proteka.dataset.Ensemble property) trajectory_indices (proteka.dataset.Ensemble property) trajectory_slices (proteka.dataset.Ensemble property) trjs (proteka.dataset.Ensemble property)

U

unit (proteka.quantity.quantity.BaseQuantity property) (proteka.quantity.quantity.Quantity property)

unit_system (proteka.dataset.Ensemble property)