The modelcif.protocol
Python module¶
Classes for handling modeling protocols.
- class modelcif.protocol.Step(input_data, output_data, name=None, details=None, software=None)[source]¶
A single step in a
Protocol
.This class describes a generic step in a modeling protocol. In most cases, a more specific subclass should be used, such as
TemplateSearchStep
,ModelingStep
, orModelSelectionStep
.- Parameters:
input_data (
modelcif.data.DataGroup
ormodelcif.data.Data
) – Any objects that this step takes as input. Any individualmodelcif.data.Data
object (such as a template structure, target sequence, alignment, or model coordinates) can be given here, or a group of such objects (as amodelcif.data.DataGroup
object) can be passed.output_data (
modelcif.data.DataGroup
ormodelcif.data.Data
) – Any objects that this step creates as output, similarly toinput_data
.name (str) – A short name for this step.
details (str) – Longer description of this step.
software (
modelcif.Software
ormodelcif.SoftwareGroup
) – The software that was employed in this modeling step.
- class modelcif.protocol.TemplateSearchStep(input_data, output_data, name=None, details=None, software=None)[source]¶
A modeling protocol step that searches for templates. See
Step
for more details.
- class modelcif.protocol.ModelingStep(input_data, output_data, name=None, details=None, software=None)[source]¶
A modeling protocol step that generates model coordinates. See
Step
for more details.