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This module implements IO-related classes, functions and procedures.
Classes:
* TemporaryFile : creates a temporary file stroring the evolution of an analysis.
* EndOfFile : an empty dummy class used by |DCDReader|.
* FortranBinaryFile : sets up a binary file reader.
* DCDFile : sets up a DCD file reader.
* AmberNetCDFConverter : converts a trajectory from Amber > 9 to a MMTK NetCDF trajectory.
* CHARMMConverter : converts a trajectory from CHARMM to a MMTK NetCDF trajectory.
* DL_POLYConverter : converts a trajectory from DL_POLY > 9 to a MMTK NetCDF trajectory.
* MaterialsStudioConverter : converts a trajectory from MaterialsStudio > 9 to a MMTK NetCDF trajectory.
* NAMDConverter : converts a trajectory from NAMD to a MMTK NetCDF trajectory.
* VASPConverter : converts a trajectory from VASP > 9 to a MMTK NetCDF trajectory.
Procedures:
* convertNetCDFToASCII: converts a NetCDF file into an ASCII file.
* convertASCIIToNetCDF: converts an ASCII file into a NetCDF file.
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TemporaryFile Creates a temporary file used to monitor (progress, start, end ...) an analysis. |
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FortranBinaryFile Sets up a Fortran binary file reader. |
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DCDFile Sets up a DCD file reader. |
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AmberNetCDFConverter Converts an Amber NetCDF Trajectory into a MMTK NetCDFFile. |
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CHARMMConverter Converts a CHARMM Trajectory into a MMTK NetCDFFile. |
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DL_POLYConverter Converts a DL_POLY Trajectory into a MMTK NetCDFFile. |
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MaterialsStudioConverter Converts a MaterialsStudio Discover or Forcite Trajectory into a MMTK NetCDFFile. |
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NAMDConverter Converts a NAMD Trajectory into a MMTK NetCDFFile. |
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VASPConverter Converts a VASP Trajectory into a MMTK NetCDFFile. |
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Converts a file in NetCDF format to a file in ASCII/CDL format using the ncdump program provided with the netcdf library.
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Converts a file in ASCII format to a file in NetCDF format using the ncgen program provided with the netcdf library.
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