paramagpy.metal.Metal.write_pymol_script

Metal.write_pymol_script(isoval=1.0, surfaceName='isomap', scriptName='isomap.pml', meshName='./isomap.pml.ccp4', pdbFile=None)[source]

Write a PyMol script to file which allows loading of the isosurface file

Parameters

  • isoval (float (optional)) – the contour level of the isosurface

  • surfaceName (str (optional)) – the name of the isosurface file within PyMol

  • scriptName (str (optional)) – the name of the PyMol script to load the tensor isosurface

  • meshName (str (optional)) – the name of the binary isosurface file

  • pdbFile (str (optional)) – if not <None>, the file name of the PDB file to be loaded with the isosurface.