Some formats write coordinates into fractional coordinates, i.e. positions in each dimension are scaled by 1/L into a unitless fractional value. I think there should be a function - probably private - that does this wrapping.
An alternative approach to add this functionality would be to allow mb.Lattice to optionally populate into fractional coordinates. I am opposed to this, however, because the returned compound would have positions in unitless values, not nm.
Some formats write coordinates into fractional coordinates, i.e. positions in each dimension are scaled by
1/Linto a unitless fractional value. I think there should be a function - probably private - that does this wrapping.An alternative approach to add this functionality would be to allow
mb.Latticeto optionally populate into fractional coordinates. I am opposed to this, however, because the returned compound would have positions in unitless values, not nm.