Mdanalysis
io.mdanalysis.HAS_MDANALYSIS = True
module-attribute
¶
io.mdanalysis.MDAnalysisReader
¶
Bases: Reader
Read data via MDAnalysis.
checks()
classmethod
¶
extract(prj, id_ens, id_run, ctx)
classmethod
¶
Extract and parse all possible information given the context. This method is responsible for calling all other methods.
parse_atom_z(prj, ens_id, ctx)
staticmethod
¶
Store the atomic numbers as an ensemble‐level array.
parse_coordinates(prj, ens_id, ctx)
staticmethod
¶
Stack all frames into a (n_frames,n_atoms,3) array.
parse_ensemble_metadata(prj, ens_id, ctx)
staticmethod
¶
Store per‐ensemble atom symbols & ff types once.
prepare(topology, trajectory, *args, **kwargs)
classmethod
¶
Load a single Universe.