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Sourcecode: python-biopython version File versions

def Bio::PDB::HSExposure::HSExposure::_calc_hs_exposure (   self,
  rotran_list,
  residue_list,
  radius 
) [private]

Calculate for each residue how many CA atoms are present in 
the half sphere in the side chain direction, and in the half
sphere on the opposite side.'

Definition at line 195 of file HSExposure.py.

00195                                                                   :
        """
        Calculate for each residue how many CA atoms are present in 
        the half sphere in the side chain direction, and in the half
        sphere on the opposite side.'
        """
        d={}
        for tran, rot, ca1, r1 in rotran_list:
            hs_sidechain=0
            hs_mainchain=0
            for r2 in residue_list:
                if not is_aa(r2):
                    continue
                if r1 is r2:
                    continue
                ca2=r2["CA"]
                if (ca1-ca2)<radius:
                    neighbor_coord=ca2.get_coord()
                    # Rotate neighbor to the CB-CA direction
                    rot_coord=matrixmultiply(rot, neighbor_coord-tran)
                    if rot_coord[2]>self.OFFSET:
                        # in side chain half sphere
                        hs_sidechain+=1
                    else:
                        # in main chain half sphere
                        hs_mainchain+=1
            d[r1]=(hs_sidechain, hs_mainchain)
        return d
    
    def calc_hs_exposure(self, model, radius=12.0, option='CB'):


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