mdtraj.load_netcdf¶
-
mdtraj.
load_netcdf
(filename, top=None, stride=None, atom_indices=None, frame=None)¶ Load an AMBER NetCDF file. Since the NetCDF format doesn’t contain information to specify the topology, you need to supply a topology
- Parameters
- filenamestr
filename of AMBER NetCDF file.
- top{str, Trajectory, Topology}
The NetCDF format does not contain topology information. Pass in either the path to a pdb file, a trajectory, or a topology to supply this information.
- strideint, default=None
Only read every stride-th frame
- atom_indicesarray_like, optional
If not None, then read only a subset of the atoms coordinates from the file. This may be slightly slower than the standard read because it requires an extra copy, but will save memory.
- frameint, optional
Use this option to load only a single frame from a trajectory on disk. If frame is None, the default, the entire trajectory will be loaded. If supplied,
stride
will be ignored.
- Returns
- trajectorymd.Trajectory
The resulting trajectory, as an md.Trajectory object.
See also
mdtraj.NetCDFTrajectoryFile
Low level interface to NetCDF files