pdbInfoGet(API)

DataManip/pdbFile/src/pdbInfoGet is API for getting PDB information data. It is used by pdbInfo.

struct

method of determination to coordinates

typedef enum pdbInfoCenterMode {
        pdbInfoCenterModeCa = 0,
        pdbInfoCenterModeAll = 1
} pdbInfoCenterMode;

PDBInformation

typedef struct pdbInfoData {
	double cx;	
	double cy;	
	double cz;	

  	pdbInfoCenterMode centermode;
  	double distance;	
	double distancex;	
	double distancey;	
	double distancez;	
} pdbInfoData;

API

Get PDB Information

Get PDB Information from Input file pdb, and store at info.

extern void pdbInfoGet(pdbFile* pdb, pdbInfoData* info, long mode);