RNAlib-2.5.1
pk_plex.h
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1#ifndef VIENNA_RNA_PACKAGE_PK_PLEX_H
2#define VIENNA_RNA_PACKAGE_PK_PLEX_H
3
45typedef int (vrna_callback_pk_plex_score)(const short *pt,
46 int start_5,
47 int end_5,
48 int start_3,
49 int end_3,
50 void *data);
51
58typedef struct vrna_pk_plex_option_s *vrna_pk_plex_opt_t;
59
66
68
75 char *structure;
76 double energy;
77 double dGpk;
78 double dGint;
79 double dG1;
80 double dG2;
81 unsigned int start_5;
82 unsigned int end_5;
83 unsigned int start_3;
84 unsigned int end_3;
85};
86
118 const int **accessibility,
119 vrna_pk_plex_opt_t options);
120
121
132int **
133vrna_pk_plex_accessibility(const char *sequence,
134 unsigned int unpaired,
135 double cutoff);
136
137
147
148
160vrna_pk_plex_opt(unsigned int delta,
161 unsigned int max_interaction_length,
162 int pk_penalty);
163
164
177vrna_pk_plex_opt_fun(unsigned int delta,
178 unsigned int max_interaction_length,
179 vrna_callback_pk_plex_score *scoring_function,
180 void *scoring_data);
181
182
187#endif
The Basic Fold Compound API.
The most basic data structure required by many functions throughout the RNAlib.
Definition: fold_compound.h:148
double energy
Net free energy in kcal/mol.
Definition: pk_plex.h:76
char * structure
Secondary Structure in dot-bracket notation.
Definition: pk_plex.h:75
unsigned int start_3
Start coordinate of the 3' interaction site.
Definition: pk_plex.h:83
double dG2
Opening energy for the 3' interaction site used in the heuristic.
Definition: pk_plex.h:80
unsigned int end_3
End coordinate of the 3' interaction site.
Definition: pk_plex.h:84
double dGint
Free energy of PK forming duplex interaction.
Definition: pk_plex.h:78
double dGpk
Free energy of PK loop in kcal/mol.
Definition: pk_plex.h:77
double dG1
Opening energy for the 5' interaction site used in the heuristic.
Definition: pk_plex.h:79
unsigned int end_5
End coordinate of the 5' interaction site.
Definition: pk_plex.h:82
unsigned int start_5
Start coordinate of the 5' interaction site.
Definition: pk_plex.h:81
vrna_pk_plex_t * vrna_pk_plex(vrna_fold_compound_t *fc, const int **accessibility, vrna_pk_plex_opt_t options)
Predict Pseudoknot interactions in terms of a two-step folding process.
vrna_pk_plex_opt_t vrna_pk_plex_opt_fun(unsigned int delta, unsigned int max_interaction_length, vrna_callback_pk_plex_score *scoring_function, void *scoring_data)
Simple options for PKplex algorithm.
int() vrna_callback_pk_plex_score(const short *pt, int start_5, int end_5, int start_3, int end_3, void *data)
Pseudoknot loop scoring function prototype.
Definition: pk_plex.h:45
vrna_pk_plex_opt_t vrna_pk_plex_opt(unsigned int delta, unsigned int max_interaction_length, int pk_penalty)
Simple options for PKplex algorithm.
int ** vrna_pk_plex_accessibility(const char *sequence, unsigned int unpaired, double cutoff)
Obtain a list of opening energies suitable for PKplex computations.
vrna_pk_plex_opt_t vrna_pk_plex_opt_defaults(void)
Default options for PKplex algorithm.
struct vrna_pk_plex_option_s * vrna_pk_plex_opt_t
RNA PKplex options object.
Definition: pk_plex.h:58
A result of the RNA PKplex interaction prediction.
Definition: pk_plex.h:74
int unpaired
contains the number of unpaired bases.