paramagpy.metal.Metal.write_isomap¶

Metal.write_isomap(mesh, bounds, fileName='isomap.pml.ccp4')[source]¶

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

Parameters

mesh (3D scalar np.ndarray of floats) – the scalar field of PCS or PRE values in a cubic grid
bounds (tuple (origin, low, high, points)) – as generated by paramagpy.metal.Metal.make_mesh()
fileName (str (optional)) – the filename of the isosurface file