Coordinates with occ > 0 are refined and may shift - cds with occ=0 stay
where they were.. This may result in bad geometry of course. You can
"reglise" the whole residue in coot but that doesnt do nything except make
it look tidier.. Eleanor
On Mar 7 2012, Joel Tyndall wrote:
Hi folks,
I ha
Hi folks,
I have a case where I have changed the occupancy of a lysine residue to 0.00
and after refinement the geometry is wrong, i.e. one of the bonds is extended
(no connectivity in Coot and length is 1.76A). I have seen this before with
other residues and a previous data set. The break in t
