Kinoshita: Created page with "DataManip/pdbFile/src/'''lpdbSurface''' is API for pdbSurface. == constant == Use the value as the argument mode in lpdbSurfaceAsTemperatureFactor. typedef enum lpdbSurf..."

2014-10-07T08:05:24Z

Created page with "DataManip/pdbFile/src/'''lpdbSurface''' is API for pdbSurface. == constant == Use the value as the argument mode in lpdbSurfaceAsTemperatureFactor. typedef enum lpdbSurf..."

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DataManip/pdbFile/src/'''lpdbSurface''' is API for [[pdbSurface]].

== constant ==
Use the value as the argument mode in lpdbSurfaceAsTemperatureFactor.
typedef enum lpdbSurfaceMode {
lpdbSurfaceModeSimple=0
} lpdbSurfaceMode;

== struct ==
typedef struct lpdbSurfaceInfo {
double order; /* Angstrom */
int refine; /* mesh size is equal to order/refine */
int size; /* contour surface thickness is equal to order/refine*(2*size+1) */
double mergin; /* Search Area */
double weight; /* Weight Value */
double thresHold; /* exp(-thresHold) */
int DensityMode;
} lpdbSurfaceInfo;

== API ==
Calculate the temperature factor, and store to '''pdb->PDB->TemperatureFactor'''.
extern void lpdbSurfaceAsTemperatureFactor(pdbFile* pdb, lpdbSurfaceInfo* info, lpdbSurfaceMode mode);

lpdbSurface(API) - Revision history

Kinoshita: Created page with "DataManip/pdbFile/src/'''lpdbSurface''' is API for pdbSurface. == constant == Use the value as the argument mode in lpdbSurfaceAsTemperatureFactor. typedef enum lpdbSurf..."