Entering edit mode
3.2 years ago
user366312
▴
20
I know the algorithm for creating a Hydrogen atom and adding to a residue:
Point3d create_hydrogen(Point3d C, Point3d N, Point3d CA, Point3d H)
{
H.set(N);
H -= C;
H.norm();
Point3d tmp2(N);
tmp2 -= CA;
tmp2.norm();
H += tmp2;
H.norm(N_H_BOND_LENGTH);
H += N;
return H;
}
Point3d create_hydrogen(Residue prev_residue, Residue residue, Point3d H)
{
return create_hydrogen(prev_residue.find_atom(" C "),
residue.find_atom(" N "),
residue.find_atom(" CA "),
H);
}
Atom create_hydrogen(Residue prev_residue, Residue residue)
{
Atom H = new Atom(0, " H ", 1);
create_hydrogen(prev_residue, residue, H);
residue.add(H);
return H;
}
I didn't find this implementation in BioPython.
Is this already implemented in BioPython? If YES, in which module?
If NO, what would be the implementation like in BioPython?