FitCaCbPDB.c

BOOL FitCaCbPDB(PDB ref_pdb, PDB fit_pdb, REAL rm[3][3])

Inputs

PDB *ref_pdb Reference PDB linked list

Input/Output

PDB *fit_pdb PDB linked list to be fitted

Outputs

REAL rm[3][3] Rotation matrix

Returns

BOOL Success

Description

Does a weigthed fitting of 2 PDB linked lists. The CA and CB are given a weight of 1.0 while the other atoms are given a weight of 1.0/natom in the residue. Thus for N,CA,C,CB backbone only, this will be N and C with weights of 0.25

Created: 21.06.93 Last Modified: 14.03.96