newanalysis.unfold.minDistBox

newanalysis.unfold.minDistBox(aufpunkt, com, xyz, boxlength, atoms_per_residue, residue_first_atom)

translateBox(vec, com, xyz, boxlength, atoms_per_residue, residue_first_atom)

Translate the box by a given vector

Parameters:

• translated (aufpunkt .. vector by which the coordinates are) –

• box (boxlength .. edge length of the cubic) –

• atoms (xyz .. coordinates of all) –

• box –

• contains (atoms_per_residue .. array showing how many atoms each residue) –

• residue (residue_first_atom .. index of the first atom of each) –