Package nMOLDYN :: Package Core :: Module IOFiles :: Class CHARMMConverter
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Class CHARMMConverter

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Converts a CHARMM Trajectory into a MMTK NetCDFFile.

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

__init__(self, pdbFile, dcdFile, outputFile)
(Constructor)

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The constructor. Will do the conversion.

Parameters:
  • pdbFile (string) - the CHARMM PDB file name of a frame of the trajectory to convert.
  • dcdFile (string) - the CHARMM DCD file name of the trajectory to convert.
  • outputFile (string) - the name of MMTK NetCDF trajectory output file.