libmove3d  3.13.0
/home/slemaign/softs-local/BioMove3D-git/BioTools/ambmov/defs.h
00001 #ifndef DEFS_H
00002 #define DEFS_H
00003 
00004 /**********************************************************************/
00005 // DEFINITIONS
00006 
00007 #define SQR(x) ((x)*(x))
00008 #define PI 3.14159265358979323846
00009 #define FUZZ  0.00001
00010 #define ABS(x)  (((x) >= 0.0) ? (x) : -(x))
00011 #define EQ(x,y) (ABS((x)-(y)) < FUZZ)
00012 
00014 #define OMEGAMAX 190.0*(PI/180.0)
00015 #define OMEGAMIN 170.0*(PI/180.0)
00016 
00017 #define C_VDWR 1.53
00018 #define N_VDWR 1.38
00019 #define O_VDWR 1.35
00020 #define S_VDWR 1.79
00021 #define H_VDWR 1.10
00022 
00023 #define Br_VDWR 1.94
00024 #define Cl_VDWR 1.74
00025 #define F_VDWR 1.29
00026 
00027 /* #define C_VDWR 1.7 */
00028 /* #define N_VDWR 1.55 */
00029 /* #define O_VDWR 1.52 */
00030 /* #define S_VDWR 1.8 */
00031 /* #define H_VDWR 1.2 */
00033 #define N_COLOR "Blue"
00034 //#define CA_COLOR "DGreen"
00035 #define C_COLOR "Green"
00036 #define O_COLOR "Red"
00037 #define S_COLOR "Yellow"
00038 #define H_COLOR "White"
00039 
00040 
00041 // ATOM NAME STANDARDS
00042 #define INSIGHT_NAMES 0  // default
00043 #define AMBER_NAMES   1
00044 
00045 #endif
 All Classes Files Functions Variables Typedefs Enumerations Enumerator Friends Defines