6.14. NAMDBIN files format — MDAnalysis.coordinates.NAMDBIN

Read/Write coordinates in NAMD double-precision binary format (suffix “coor” or “namdbin”).

6.14.1. Classes

class MDAnalysis.coordinates.NAMDBIN.NAMDBINReader(filename, convert_units=True, n_atoms=None, **kwargs)

Reader for NAMD binary coordinate files.

New in version 1.0.0.

Writer(filename, **kwargs)

Returns a NAMDBINWriter for filename.

Parameters

filename (str) – filename of the output NAMDBIN file

Return type

NAMDBINWriter

static parse_n_atoms(filename, **kwargs)

Read the coordinate file and deduce the number of atoms

Returns

n_atoms – the number of atoms in the coordinate file

Return type

int

Raises

NotImplementedError – when the number of atoms can’t be deduced

units = {'length': 'Angstrom'}

dict with units of of time and length (and velocity, force, … for formats that support it)

class MDAnalysis.coordinates.NAMDBIN.NAMDBINWriter(filename, n_atoms=None, **kwargs)

Writer for NAMD binary coordinate files.

Note

• Does not handle writing to bz2 or gz compressed file types.

New in version 1.0.0.

Parameters

• filename (str or NamedStream) – name of the output file or a stream

• n_atoms (int) – number of atoms for the output coordinate

units = {'length': 'Angstrom', 'time': None}

dict with units of of time and length (and velocity, force, … for formats that support it)