parmed.amber.NetCDFRestart¶
-
class
parmed.amber.NetCDFRestart(fname, mode='r')[source]¶ Class to read or write NetCDF restart files
- Attributes
- box
- cell_angles
- cell_lengths
- coordinates
- remd_dimtype
- remd_indices
- temp0
- time
- velocities
Methods
id_format(filename)Identifies the file type as an Amber NetCDF restart file
open_new(fname, natom, box, vels[, title, …])Opens a new NetCDF file and sets the attributes
open_old(fname)Opens the NetCDF file and sets the global attributes that the file sets
parse(fname)Opens the NetCDF file and sets the global attributes that the file sets
close
flush
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__init__(fname, mode='r')[source]¶ Opens a NetCDF File. The main constructor should never be called directly. The alternative “open_old” and “open_new” constructors should be called instead for reading existing or writing new NetCDF files, respectively.
Methods
__init__(fname[, mode])Opens a NetCDF File.
close()flush()id_format(filename)Identifies the file type as an Amber NetCDF restart file
open_new(fname, natom, box, vels[, title, …])Opens a new NetCDF file and sets the attributes
open_old(fname)Opens the NetCDF file and sets the global attributes that the file sets
parse(fname)Opens the NetCDF file and sets the global attributes that the file sets
Attributes