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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.
The text was updated successfully, but these errors were encountered:
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.The text was updated successfully, but these errors were encountered: