nma_alignment_vol.cpp File Reference

#include <limits>
#include "nma_alignment_vol.h"
#include "volume_from_pdb.h"
#include "program_extension.h"
#include "condor/Solver.h"

Include dependency graph for nma_alignment_vol.cpp:

Go to the source code of this file.

Functions
void	deformPDB (const FileName &PDBin, const FileName &PDBout, const FileName &fnModeList, const Matrix1D< double > &trial)

Variables
ProgNmaAlignmentVol *	global_nma_vol_prog

Function Documentation

deformPDB()

void deformPDB	(	const FileName &	PDBin,
		const FileName &	PDBout,
		const FileName &	fnModeList,
		const Matrix1D< double > &	trial
	)

Definition at line 154 of file nma_alignment_vol.cpp.

{
    String program = "xmipp_pdb_nma_deform";
    String arguments = formatString("--pdb %s -o %s --nma %s --deformations ",PDBin.c_str(), PDBout.c_str(), fnModeList.c_str());
    for (size_t i = 0; i < VEC_XSIZE(trial); ++i)
        arguments += floatToString(trial(i)) + " ";
    runSystem(program, arguments, false);
}

Variable Documentation

global_nma_vol_prog

ProgNmaAlignmentVol* global_nma_vol_prog

Definition at line 128 of file nma_alignment_vol.cpp.