/home/slemaign/softs-local/BioMove3D-git/include/bio.h File Reference

bio structures More...

#include <p3d.h>

Go to the source code of this file.

Classes
struct	s_poly_max16_coefs
struct	s_bio_6R_ik_data
	Structure to store date for the 6R_bio_ik method. More...
struct	SideChainBBox
struct	Joint_Tables
struct	BBox
struct	TBox
struct	s_SD_struct
struct	rigid_structure
struct	SupBox
struct	robot_structure
struct	autocol_struc
struct	bcd_init_structure
struct	int_tab
struct	ligandBBox
struct	ligand
Defines
#define	SUPRESSION
#define	HYDROGEN_COMPILATION
#define	BIO_OMEGA_JNT   1
#define	BIO_PHI_JNT   2
#define	BIO_PSI_JNT   3
#define	BIO_GAMMA_JNT   4
#define	BIO_OTHER_JNT   7
#define	C_MASS   12.0107
#define	O_MASS   15.9994
#define	N_MASS   14.00674
#define	H_MASS   1.00794
#define	S_MASS   32.066
#define	P_MASS   30.973761
#define	Br_MASS   79.904
#define	F_MASS   18.9984032
#define	Cl_MASS   35.4527
#define	I_MASS   126.90447
#define	BIO_IK_ERROR_TOL   0.001
#define	NORMAL_BIOCOL_MODE   0
#define	SURFACE_DISTANCE_BIOCOL_MODE   1
#define	MINIMUM_DISTANCE_BIOCOL_MODE   2
Typedefs
typedef double	poly2_coefs [3]
typedef struct s_poly_max16_coefs	poly_max16_coefs
typedef struct s_bio_6R_ik_data	bio_6R_ik_data
	Structure to store date for the 6R_bio_ik method.
typedef struct SideChainBBox	SideChainBBox
typedef struct SideChainBBox *	SideChainBBoxPt
typedef struct Joint_Tables	Joint_tables
typedef struct Joint_Tables *	Joint_tablespt
typedef struct BBox	Bbox
typedef struct BBox *	Bboxpt
typedef struct TBox	boxnode
typedef boxnode *	boxnodept
typedef struct s_SD_struct	SD_struct
typedef SD_struct *	SDpt
typedef void(*	SD_function )(SD_struct *SD)
typedef struct rigid_structure	Rigid_structure
typedef struct SupBox	supnode
typedef supnode *	supnodept
typedef struct robot_structure	Robot_structure
typedef struct autocol_struc	autocol_struc
typedef void(*	check_pair_function )(p3d_poly *, p3d_poly *)
typedef int(*	check_all_function )(p3d_poly **, int, p3d_poly **, int)
typedef short int(*	donatouch_function )(double *, double *, double *, double *)
typedef struct ligandBBox	ligandBBox
typedef struct ligandBBox *	ligandBBoxPt
typedef struct ligand	ligand
typedef struct ligand *	ligandPt
Enumerations
enum	aminoacidos {   ALA, ARG, ASN, ASP,   CYS, GLN, GLU, GLY,   HIS, ILE, LEU, LYS,   MET, PHE, PRO, SER,   THR, TRP, TYR, VAL,   ALAH, ARGH, ASNH, ASPH,   CYSH, GLNH, GLUH, GLYH,   HISH, ILEH, LEUH, LYSH,   METH, PHEH, PROH, SERH,   THRH, TRPH, TYRH, VALH }
Variables
ligand *	LIGAND_PT

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Detailed Description

bio structures