drugforge.spectrum.calculate_rmsd.save_alignment_pymol

drugforge.spectrum.calculate_rmsd.save_alignment_pymol(pdbs: list, labels: list, reference: str, session_save: str, align_chain=<class 'str'>, color_by_rmsd=False) → None[source]

Imports the provided PDBs into a Pymol session and saves

Parameters:

  • pdbs (list) – List with paths to pdb file to include.

  • labels (list) – List with labels that will be used in protein objects.

  • reference (str) – Path to reference PDB.

  • session_save (str) – File name for the saved PyMOL session.

  • align_chain (str) – Chain of ref to align target with.

  • color_by_rmsd (bool, optional) – Option to color aligned targets by RMSD with respect to reference.