drugforge.spectrum.calculate_rmsd.colorbyrmsd

drugforge.spectrum.calculate_rmsd.colorbyrmsd(p: pymol2.PyMOL, target_sel: str, ref_sel: str, quiet=True, minimum=None, maximum=None)[source]

Color aligned proteins by RMSD with respect to the target. Based on script by original authors Shivender Shandilya and Jason Vertrees, rewrite by Thomas Holder. License: BSD-2-Clause. http://pymolwiki.org/index.php/ColorByRMSD

Parameters:

  • p (pymol2.PyMOL) – Pymol session

  • target_sel (str) – Selection of aligned target

  • ref_sel (str) – Selection of reference protein

  • quiet (bool, optional) – Not print RMSD info, by default True

  • minimum (Union[int,float], optional) – Set a fixed min RMSD for coloring, by default None

  • maximum (Union[int,float], optional) – Set a fixed max RMSD for coloring, by default None