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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.