-
Notifications
You must be signed in to change notification settings - Fork 3
/
Copy pathautoglobal.h
95 lines (74 loc) · 3.85 KB
/
autoglobal.h
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
/*
$Id: autoglobal.h,v 1.20 2012/05/01 00:22:29 mp Exp $
AutoDock
Copyright (C) 2009 The Scripps Research Institute. All rights reserved.
AutoDock is a Trade Mark of The Scripps Research Institute.
This program is free software; you can redistribute it and/or
modify it under the terms of the GNU General Public License
as published by the Free Software Foundation; either version 2
of the License, or (at your option) any later version.
This program is distributed in the hope that it will be useful,
but WITHOUT ANY WARRANTY; without even the implied warranty of
MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
GNU General Public License for more details.
You should have received a copy of the GNU General Public License
along with this program; if not, write to the Free Software
Foundation, Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301, USA.
*/
#ifndef _AUTOGLOBAL
#define _AUTOGLOBAL
#include <sys/types.h>
#include <string.h>
#include <stdio.h>
#include "structs.h"
/******************************************************************************/
/* Name: autoglobal.h */
/* Function: Global variables for Autodock modules. */
/*Copyright (C) 2009 The Scripps Research Institute. All rights reserved. */
/*----------------------------------------------------------------------------*/
/* Author: Garrett M. Morris */
/* */
/* e-mail: [email protected] */
/* */
/* The Scripps Research Institute */
/* Department of Molecular Biology, MB5 */
/* 10666 North Torrey Pines Road */
/* La Jolla, CA 92037. */
/* */
/* Date: 03/18/93 */
/*----------------------------------------------------------------------------*/
/* Inputs: None. */
/* Returns: Nothing. */
/* Globals: programname, AutoDockHelp, command_mode, */
/* command_in_fp, command_out_fp, GPF, logFile. */
/*----------------------------------------------------------------------------*/
/* Modification Record */
/* Date Inits Comments */
/* 03/18/93 GMM Created. */
/******************************************************************************/
/*----------------------------------------------------------------------------*/
/* Globals, */
/*----------------------------------------------------------------------------*/
char *programname;
char dock_param_fn[PATH_MAX];
char grid_param_fn[PATH_MAX];
int command_mode = FALSE;
int debug = 0;
int ElecMap = 0;
int DesolvMap = 0;
int ignore_errors = FALSE;
int keepresnum = 1;
int parse_tors_mode = FALSE;
int write_stateFile = FALSE;
Real idct = 1.0;
// For energy breakdown of non-bonded interactions
FILE *command_in_fp;
FILE *command_out_fp;
FILE *parFile;
FILE *GPF;
int outlev; // made global for debugging convenience
FILE *logFile; // made global for debugging convenience
FILE *stateFile;
Unbound_Model ad4_unbound_model = Unbound_Default;
#endif /*_AUTOGLOBAL*/
/* EOF */