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output_tnm.h
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int Check_make_dir(char *outdir);
void Print_modes(int N_print, char *nameout,
char *label, int *select,
int N, float **Mode, float *collectivity,
float *sigma2, double sum_sigma2,
struct axe *axe, int naxe,
atom *atoms1, int natoms,
struct residue *seq, int nres,
int *atom_num, int N_ref);
int Print_PDB_mode(char *nameout, int ia, float *Cart_mode,
float Amplitude, float Cart_collectivity,
float Tors_collectivity, float MW_Tors_collectivity,
float eigen_value, float eigen_B,
atom *atoms, int natoms, struct residue *seq, int nres,
int *atom_num, int N_ref);
void Print_mode_summary(char *nameout, char *label, struct Normal_Mode NM,
float M_sqrt, int anharmonic, float xkappa);
int Print_Bfactors(int N, //degrees of freedom
char *model, // INM, ANM or TNM
char *REF_ATM, // Reference atoms
atom *atoms, int N_atoms,
struct residue *seq, int N_res,
struct axe *axes, int N_axes,
float *B_CA, float *B_CA_exp,
int N_MODES, float cutoff,
char *inter, char *prot_name,
FILE *file_B, FILE *file_sum,
float **eigen_vector, float *eigen_value, float *eigen_B,
float *Cart_collectivity, float *Tors_collectivity,
float **Cart_mode, int *atom_ref, int N_ref);
void Print_tors_fluct(struct axe *axe, int N_axes, float *fluct,
atom *atoms, struct residue *seq,
char *name, char *type);
void Print_cart_fluct(int *atom_num, int N_atom, float *fluct,
atom *atoms, struct residue *seq,
char *name, char *type);
void Print_structures(char *pdbout,
double *atom_str1, atom *atoms1,
struct residue *seq1, char chain1,
double *atom_str2, atom *atoms2,
struct residue *seq2, char chain2,
int *atom_num, int N_ref, int N_cart,
float **Cart_mode, float *coeff,
int *sort, int N_MODE_PRINT, int N_modes);
int Write_coord(char *name_out, double *atoms_ref,
atom *atoms, int *atom_num, int N_atom_ref,
struct residue *seq, char chain, int i_model);
int Print_change(float *Fluct_pred, float *Fluct_obs, int N,
char *nameout, char *what);
void Print_atom(atom *atom, int *num, float B, struct residue *seq,
FILE *file_out);
void Print_diff_fluct(struct Tors *Diff, struct Normal_Mode *NM,
int *outlier_tors, char *nameout2);