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// -*- Mode: C++; tab-width: 2; -*-
// vi: set ts=2:
//
// $Id: dcd2dcd.C,v 1.3.28.1 2007/08/07 18:26:18 oliver Exp $
//
// a little helper program converting unreadable CHARMm DCD files to
// simpler but usable X-PLOR DCD files.
#include <BALL/common.h>
#include <BALL/FORMAT/DCDFile.h>
using namespace BALL;
using namespace std;
int main(int argc, char** argv)
{
if (argc != 3)
{
Log.info() << "Usage: " << argv[0] << " <infile.dcd> <outfile.dcd>." << endl;
return(1);
}
SnapShot snapshot;
DCDFile in_file(argv[1], ios::in | ios::binary);
DCDFile out_file(argv[2], ios::out | ios::binary);
Log.info() << "Converting the snapshots...." << endl;
for (Size i = 0; i < in_file.getNumberOfSnapShots(); ++i)
{
in_file.read(snapshot);
out_file.append(snapshot);
}
in_file.close();
out_file.close();
Log.info() << " done." << endl;
}
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