pdb2qci.cpp File Reference

#include <stdlib.h>
#include <algorithm>
#include <sstream>
#include <fstream>
#include <iostream>
#include "../../include/config.h"
#include "pdbstruct.h"
#include "fragmentDataBase.h"

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Functions

int main (int argc, char *argv[])
void usage ()


Function Documentation

int main int  argc,
char *  argv[]
 

Definition at line 51 of file pdb2qci.cpp.

References QCPP_DATABASE_PATH_, FragmentsDataBase::read(), PDBstructure::readPDBFile(), PDBstructure::setFragName(), usage(), and PDBstructure::writeQCIFile().

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void usage  ) 
 

Definition at line 33 of file pdb2qci.cpp.

References QCPP_DATABASE_PATH_.


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