/**
* Use unit vectors NC and NCalpha Add them. Calc unit vector and substract it from N. C
* coordinates are from amino acid i-1 N, CA atoms from amino acid i
*
* <p>see also:
*
* @link
* {http://openbioinformatics.blogspot.com/2009/08/how-to-calculate-h-atoms-for-nitrogens.html}
*/
private static Atom calc_H(Atom C, Atom N, Atom CA) throws StructureException {
Atom nc = Calc.substract(N, C);
Atom nca = Calc.substract(N, CA);
Atom u_nc = Calc.unitVector(nc);
Atom u_nca = Calc.unitVector(nca);
Atom added = Calc.add(u_nc, u_nca);
Atom U = Calc.unitVector(added);
// according to Creighton distance N-H is 1.03 +/- 0.02A
Atom H = Calc.add(N, U);
H.setName("H");
H.setFullName(" H ");
// this atom does not have a pdbserial number ...
return H;
}
