Package nMOLDYN :: Package Core :: Module IOFiles :: Class AmberNetCDFConverter
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Class AmberNetCDFConverter

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Converts an Amber NetCDF Trajectory into a MMTK NetCDFFile.

Comments:

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

__init__(self, pdbFile, amberNetCDFFile, outputFile, timeStep=1.0)
(Constructor)

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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.