s_dparams Struct Reference

#include <dparams.h>

Data Fields
char **	fcomplex
char **	ligs
char *	f_exp
char *	f_fpckp
char *	f_fpcknp
float	interface_dist_crit
int	nfiles
int	interface_method
s_fparams *	fpar

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Detailed Description

Definition at line 106 of file dparams.h.

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Field Documentation

char** s_dparams::fcomplex

path of the holo form of the structure

Definition at line 108 of file dparams.h.

Referenced by add_complexe(), dpocket(), free_dparams(), init_def_dparams(), and print_dparams().

char ** s_dparams::ligs

HET residue name of the ligand

Definition at line 108 of file dparams.h.

Referenced by add_complexe(), dpocket(), free_dparams(), init_def_dparams(), and print_dparams().

char* s_dparams::f_exp

name of the explicit pocket definition output file

Definition at line 111 of file dparams.h.

Referenced by dpocket(), free_dparams(), get_dpocket_args(), and init_def_dparams().

char * s_dparams::f_fpckp

name of the pocket definition output file

Definition at line 111 of file dparams.h.

Referenced by dpocket(), free_dparams(), get_dpocket_args(), and init_def_dparams().

char * s_dparams::f_fpcknp

name of the non pocket definition output file

Definition at line 111 of file dparams.h.

Referenced by dpocket(), free_dparams(), get_dpocket_args(), and init_def_dparams().

float s_dparams::interface_dist_crit

distance for explicit binding pocket definition

Definition at line 115 of file dparams.h.

Referenced by get_dpocket_args(), get_explicit_desc(), init_def_dparams(), parse_dist_crit(), and print_dparams().

int s_dparams::nfiles

number of files to analyse

Definition at line 117 of file dparams.h.

Referenced by add_complexe(), add_list_complexes(), dpocket(), init_def_dparams(), and print_dparams().

int s_dparams::interface_method

how to identify the explicit binding pocket

Definition at line 117 of file dparams.h.

Referenced by get_dpocket_args(), get_explicit_desc(), init_def_dparams(), and print_dparams().

s_fparams* s_dparams::fpar

fparams container

Definition at line 120 of file dparams.h.

Referenced by desc_pocket(), free_dparams(), get_dpocket_args(), and get_explicit_desc().

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The documentation for this struct was generated from the following file:

• dparams.h