Rosetta Receptor Preparation

This protocol prepares an AtomStruct object containing a protein file for docking. It mainly adds the hydrogens and missing atoms.

From Scipion Chem, we also provide the option of cleaning the structure from HETATM atoms and selecting specific chains from the input structure.

Input

Note

All parameters include a help button that gives further information for each of them.

Rosetta Receptor Preparation form

The result of this protocol is an AtomStruct object containing the resulting pdb file of the receptor, ready to be used in other tools.

Test

This protocol has an integrated test that can be run using the following command:

scipion3 tests rosetta.tests.test_rosetta.TestrosettaPrepareReceptor