Package nMOLDYN :: Package Core :: Module IOFiles :: Class AmberNetCDFConverter |
[hide private]
[frames] | no frames]

# Class AmberNetCDFConverter

source code

Converts an Amber NetCDF Trajectory into a MMTK NetCDFFile.

Comments:

- this code is an improved version of the original converter written by Paolo Calligari.

Instance Methods | [hide private]
__init__(self, pdbFile, amberNetCDFFile, outputFile, timeStep=1.0) The constructor. | source code
__convert(self) Performs the actual conversion. | source code

Method Details | [hide private]

### __init__(self, pdbFile, amberNetCDFFile, outputFile, timeStep=1.0) (Constructor) | source code
The constructor. Will do the conversion. Parameters: `pdbFile` (string) - the Amber PDB file name of a frame of the trajectory to convert. `amberNetCDFFile` (string) - the Amber NetCDF file name of the trajectory to convert. `outputFile` (string) - the name of MMTK NetCDF trajectory output file. `timeStep` (float.) - the timestep that will used when building the MMTK trajectory. Default to 1 ps.