de.bioforscher.singa.structure.algorithms.superimposition.fit3d

Interface Fit3DBuilder.TargetStep

All Known Implementing Classes:

Fit3DBuilder.Builder

Enclosing class:

Fit3DBuilder

public static interface Fit3DBuilder.TargetStep

Method Summary

Modifier and Type	Method and Description
Fit3DBuilder.AtomStep	target(LeafSubstructureContainer target) Defines the target against which this Fit3D search should be run.
Fit3DBuilder.BatchParameterStep	targets(StructureParser.MultiParser multiParser) Defines the targets against which this Fit3D search should be run in batch mode.

Method Detail

target

Fit3DBuilder.AtomStep target(LeafSubstructureContainer target)

Defines the target against which this Fit3D search should be run.

Parameters:

target - The target LeafSubstructureContainer against which the search should be run.

Returns:

The Fit3DBuilder.AtomStep to define optional restrictions on Atoms.

targets

Fit3DBuilder.BatchParameterStep targets(StructureParser.MultiParser multiParser)

Defines the targets against which this Fit3D search should be run in batch mode. This can either be a list of PDB-IDs or file paths pointing to target files in PDB format.

Parameters:

multiParser - The StructureParser.MultiParser that provides the structures to that should be run in batch mode.

Returns:

The Fit3DBuilder.BatchParameterStep to define the level of parallelism the batch search should use.