[phenixbb] assert n_ncs > 0

Robert Ng ng.ng.robert at gmail.com
Fri Apr 9 14:23:36 PDT 2010


Nope...I did put in the selection..
Below is my params (not default) file:

refinement {
  main {
    ncs = True
    number_of_macro_cycles = 3
    optimize_mask = True
  }
  ncs {
    restraint_group {
      reference = "chain A and (resseq 218:736 )"
      selection = "chain B and (resseq 218:736 )"
      selection = "chain C and (resseq 218:736 )"
      selection = "chain D and (resseq 218:736 )"
      selection = "chain E and (resseq 218:736 )"
      selection = "chain F and (resseq 218:736 )"
      selection = "chain G and (resseq 218:736 )"
      selection = "chain H and (resseq 218:736 )"
      selection = "chain I and (resseq 218:736 )"
      selection = "chain J and (resseq 218:736 )"
    }
  }
  target_weights {
    wxc_scale = 0.02
    optimize_wxc = True
    optimize_wxu = True
    mode = automatic *every_macro_cycle
    angles_rmsd_max = 1.5
  }
}

On 4/9/10, Ralf W. Grosse-Kunstleve <rwgk at cci.lbl.gov> wrote:
> Hi Robert,
>
>> How about this one ...
>>     assert n_ncs > 0
>
> Sorry, not a good error message, but I think there's just something
> funny with your ncs selections: an ncs.restraint_group without any
> selections. Could you check for this?
>
> Ralf
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