ResidueAtoms Class Reference


Public Member Functions

 ResidueAtoms ()
void GetBBLoc (int n, vec3 loc)
int GetAtomIndex (int atom_name)
void SetAtomLoc (int atom_name, vec3 loc)
void SetTempFactor (int atom_index, float new_temp)
void ReadAtomLine (char *line)
char * WriteAtomLine (int i, char RS= 'X', int res_num=0, char chain= ' ')

Data Fields

vec3 atom [kMaxResAtoms]
int atom_name [kMaxResAtoms]
int atom_num [kMaxResAtoms]
int bb_num [anBBcount+1]
pValType radius [kMaxResAtoms]
pValType temp_factor [kMaxResAtoms]
vec3 Cm
int atom_count
int res_num
char res_mod
char chain

Detailed Description

Definition at line 239 of file open_prospect.h.


The documentation for this class was generated from the following files:
Generated on Wed Apr 11 16:50:51 2007 for open_prospect by  doxygen 1.4.6