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Stride.C File Reference

#include <stdio.h>
#include "DrawMolecule.h"
#include "Timestep.h"
#include "Residue.h"
#include "Inform.h"
#include "Stride.h"
#include "utilities.h"
#include "VMDDir.h"
#include "PeriodicTable.h"

Go to the source code of this file.

Functions
char *	get_temporary_filename (void)
int	write_ss_input_pdb (DrawMolecule *mol, const char *inputfilename, ResizeArray< int > &residues)
int	read_stride_record (DrawMolecule *mol, const char *stridefile, const ResizeArray< int > &residues)
int	ss_from_stride (DrawMolecule *mol)
int	read_dssp_record (DrawMolecule *mol, const char *dsspfile, const ResizeArray< int > &residues)
int	ss_from_dssp (DrawMolecule *mol)

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Function Documentation

char* get_temporary_filename (  void    )

Definition at line 58 of file Stride.C. References NULL. Referenced by ss_from_dssp, and ss_from_stride.

int read_dssp_record (  DrawMolecule *    mol, const char *    dsspfile, const ResizeArray< int > &    residues )  [static]

Definition at line 287 of file Stride.C. References NULL, ResizeArray::num, BaseMolecule::residueList, SS_BETA, SS_BRIDGE, SS_COIL, SS_HELIX_3_10, SS_HELIX_ALPHA, SS_HELIX_PI, and SS_TURN. Referenced by ss_from_dssp.

int read_stride_record (  DrawMolecule *    mol, const char *    stridefile, const ResizeArray< int > &    residues )  [static]

Definition at line 145 of file Stride.C. References ResizeArray::num, BaseMolecule::residueList, SS_BETA, SS_BRIDGE, SS_COIL, SS_HELIX_3_10, SS_HELIX_ALPHA, SS_HELIX_PI, and SS_TURN. Referenced by ss_from_stride.

int ss_from_dssp (  DrawMolecule *    mol )

Definition at line 382 of file Stride.C. References get_temporary_filename, NULL, read_dssp_record, vmd_delete_file, vmd_file_is_executable, vmd_system, and write_ss_input_pdb.

int ss_from_stride (  DrawMolecule *    mol )

Definition at line 213 of file Stride.C. References get_temporary_filename, NULL, read_stride_record, vmd_delete_file, vmd_file_is_executable, vmd_system, and write_ss_input_pdb.

int write_ss_input_pdb (  DrawMolecule *    mol, const char *    inputfilename, ResizeArray< int > &    residues )

Definition at line 76 of file Stride.C. References ResizeArray::append, BaseMolecule::atom, MolAtom::atomicnumber, BaseMolecule::atomNames, MolAtom::chainindex, BaseMolecule::chainNames, ResizeArray::clear, DrawMolecule::current, get_pte_label, MolAtom::nameindex, BaseMolecule::nAtoms, ResizeArray::num, Timestep::pos, MolAtom::residueType, MolAtom::resnameindex, BaseMolecule::resNames, RESPROTEIN, and MolAtom::uniq_resid.

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