schrodinger.seam.transforms package

Seam Transform Catalog

See also:

• Beam transform catalog

Transform	Description
ReadStructuresFromFile	Read a file (or files) containing structures and return a PCollection of Structure objects.
WriteStructuresToFile	Write a PCollection of Structure objects to a file.
ReadMolsFromFile	Read a file (or files) containing molecules
WriteMolsToFile	Write a PCollection of Mol objects to a file.
FixedSample	Split a PCollection into two PCollections: a random sample of the input PCollection and the remaining elements.
Top	Split a PCollection into two PCollections: the largest n elements of the input PCollection and the remaining elements.
RandomSample	Create a PCollection made up of a random sample of the input PCollection.
Smallest	Create a PCollection containing the smallest element(s) of the input PCollection.

Scientific Transforms

Transform	Description
Dock	Dock ligands into a receptor using Glide.
ProteinPrep	Clean up and prepare a protein.
LigandPrep	Clean up and prepare a ligand and generate tautomers.

Submodules

• schrodinger.seam.transforms.combiners module
• schrodinger.seam.transforms.core module
• schrodinger.seam.transforms.partitioners module
• schrodinger.seam.transforms.resources module
• schrodinger.seam.transforms.samplers module