lpdb2mrcInfo(API)
From EosPedia
DataManip/pdbFile/src/lpdb2mrcInfo is API to convert from PDB file to mrcImage. It is used by pdb2mrc2d,pdb2mrc.
Contents
constant
struct
Density Mode
typedef enum lpdb2mrcDensityMode { lpdb2mrcDensityModeSameGaussian=0, lpdb2mrcDensityModeWentzelAtomModel=1 } lpdb2mrcDensityMode;
typedef struct lpdb2mrcInfo { pdbFileParaTypeReal sx; pdbFileParaTypeReal sy; pdbFileParaTypeReal sz; pdbFileParaTypeReal dx; pdbFileParaTypeReal dy; pdbFileParaTypeReal dz; pdbFileParaTypeInteger nx; pdbFileParaTypeInteger ny; pdbFileParaTypeInteger nz; pdbFileParaTypeReal Weight; pdbFileParaTypeReal Sigma; pdbFileParaTypeInteger flagNegativeStain; pdbFileParaTypeReal stainThickness; lpdb2mrcDensityMode DensityMode; } lpdb2mrcInfo;
typedef lpdb2mrcInfo lpdb2mrc2dInfo; typedef lpdb2mrcInfo lpdb2mrc3dInfo;
API
Concert
Convert: PDB -> 2D
extern void lpdb2mrc2d(mrcImage* mrc, pdbFile* pdb, lpdb2mrc2dInfo* info, char axis, long mode);
Convert: PDB -> 3D
extern void lpdb2mrc3d(mrcImage* mrc, pdbFile* pdb, lpdb2mrc2dInfo* info, long mode); extern void lpdb2mrc3dUsage(FILE* fpt);