mdciao.cli.fragment_overview

mdciao.cli.fragment_overview(topology, methods=['all'], AAs=None)

Prints the fragments obtained by get_fragments for the available methods.

Optionally, you can pass along a list of residue descriptors to be printed after the fragments have been shown.

Parameters:

  • topology (mdtraj.Topology) – The moleculr topology to fragment

  • methods (str or list of strings) – method(s) to be used for obtaining fragments

  • AAs (list, default is None) – Anything that find_AA can understand

Returns:

fragments_out – The result of the fragmentation schemes keyed by their method name

Return type:

dict