[phenixbb] automr : [1] MAP_COEFFS [2] output pdb's of ensemble

Bryan Lepore bryanlepore at gmail.com
Fri Nov 12 07:38:13 PST 2010


in automr, i do not understand why only the last MR.MAP_COEFFS.n.mtz
is written- e.g. i don't get 1-9 if 10 models are requested as output.
(MR.[1-n].mtz are written ok).

when using an ensemble, i gather that the output is *hardwired* for
the best rmsd model - i.e. there are no keywords to write out all
parts of the ensemble. (i know i can run pdbset for them, but


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