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

__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

box

cell_angles

cell_lengths

coordinates

remd_dimtype

remd_indices

temp0

time

velocities