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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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EndOfFile | |||
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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