The ihm.analysis Python module

Classes for handling the analysis of a modeling run.

class ihm.analysis.Step(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]

A single step in an Analysis.

Normally one of the base classes is used; see FilterStep, ClusterStep, RescoreStep, ValidationStep, OtherStep, and EmptyStep.

Parameters:
  • feature (str) – feature energy/score;RMSD;dRMSD;other
  • num_models_begin (int) – The number of models at the beginning of the step
  • num_models_end (int) – The number of models at the end of the step
  • assembly (Assembly) – The part of the system analyzed in this step
  • dataset_group (DatasetGroup) – The collection of datasets used in this analysis, if applicable
  • software (Software) – The software used in this step
  • script_file (Location) – Reference to the external file containing the script used in this step (usually a WorkflowFileLocation).
  • details (str) – Additional text describing this step
class ihm.analysis.FilterStep(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]

A single filtering step in an Analysis. See Step for a description of the parameters.

class ihm.analysis.ClusterStep(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]

A single clustering step in an Analysis. See Step for a description of the parameters.

class ihm.analysis.RescoreStep(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]

A single rescoring step in an Analysis. See Step for a description of the parameters.

class ihm.analysis.ValidationStep(feature, num_models_begin, num_models_end, assembly=None, dataset_group=None, software=None, script_file=None, details=None)[source]

A single validation step in an Analysis. See Step for a description of the parameters.

class ihm.analysis.EmptyStep[source]

A ‘do nothing’ step in an Analysis. This can be used if modeling outputs were used directly without any kind of analysis.

class ihm.analysis.Analysis[source]

Analysis of a modeling run. Each analysis consists of a number of steps (e.g. filtering, rescoring, clustering). A modeling run may be followed by any number of separate analyses.

See ihm.protocol.Protocol.analyses.

steps = None

All analysis steps (Step objects)