s_tparams Struct Reference

#include <tparams.h>

Data Fields
char **	fapo
char **	fcomplex
char **	fligan
char *	p_output
char *	g_output
char	stats_g [128]
char	stats_p [128]
float	lig_neigh_dist
int	nfiles
int	keep_fpout
s_fparams *	fpar

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Detailed Description

Container of the tpocket parameters

Definition at line 97 of file tparams.h.

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Field Documentation

char** s_tparams::fapo

path to the apo structure

Definition at line 99 of file tparams.h.

Referenced by add_prot(), free_tparams(), get_actual_pocket(), init_def_tparams(), print_params(), test_fpocket(), and test_set().

char ** s_tparams::fcomplex

path to the holo structure

Definition at line 99 of file tparams.h.

Referenced by add_prot(), free_tparams(), get_actual_pocket(), init_def_tparams(), print_params(), test_fpocket(), and test_set().

char ** s_tparams::fligan

name of the ligand residue

Definition at line 99 of file tparams.h.

Referenced by add_prot(), free_tparams(), get_actual_pocket(), init_def_tparams(), print_params(), test_fpocket(), and test_set().

char* s_tparams::p_output

per pocket output path

Definition at line 103 of file tparams.h.

Referenced by get_tpocket_args(), init_def_tparams(), and test_fpocket().

char* s_tparams::g_output

general output path

Definition at line 104 of file tparams.h.

Referenced by get_tpocket_args(), init_def_tparams(), and test_fpocket().

char s_tparams::stats_g[128]

Definition at line 106 of file tparams.h.

Referenced by get_tpocket_args().

char s_tparams::stats_p[128]

Definition at line 107 of file tparams.h.

Referenced by get_tpocket_args().

float s_tparams::lig_neigh_dist

ligand neighbour dist for explicit pocket definition

Definition at line 109 of file tparams.h.

Referenced by init_def_tparams(), and parse_lig_neigh_dist().

int s_tparams::nfiles

number of files to analyze

Definition at line 110 of file tparams.h.

Referenced by add_list_data(), add_prot(), init_def_tparams(), main(), print_params(), and test_fpocket().

int s_tparams::keep_fpout

keep the fpocket output (flag)

Definition at line 111 of file tparams.h.

Referenced by get_tpocket_args(), init_def_tparams(), and test_set().

s_fparams* s_tparams::fpar

fpocket parameter container

Definition at line 115 of file tparams.h.

Referenced by free_tparams(), get_actual_pocket(), get_tpocket_args(), print_params(), test_fpocket(), and test_set().

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

• tparams.h