libmove3d
3.13.0
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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