[phenixbb] Please help with neutron composite SA-omit

[Thomas C. Terwilliger]

Hi again Anna,

Can you possibly try this syntax for the "refine.eff" file:

refinement{
  main {scattering_table=neutron}
 }

and then say

phenix.autobuild <your usual parameters>   refine_eff_file=refine.eff

That should do it!
All the best,

-Tom T

> Hello.
>
> I am attempting to create an SA-omit composite map with neutron
> scatterers.
>
> Unfortunately,
>
>  phenix.autobuild data= "neutron.mtz" model="neutron_004.pdb"
> composite_omit_type=sa_omit scattering_table=neutron
>
> results in an error:
>
> "Sorry, unknown file or keyword: scattering_table=neutron
> Possibilities... (use 'phenix.autobuild --help all' to get full help):
>   general.resolve_pattern_command_list=neutron
>   density_modification.use_resolve_pattern=neutron
>   decision_making.semi_acceptable_r=neutron
>   decision_making.acceptable_r=neutron
>   multiple_models.multiple_models_starting_resolution=neutron
> "
>
> Can someone here help, please?
>
> (For what it's worth: I'd use nCNS, but while CNS 1.21 (precompiled
binaries) works on my computer, CNS 1.1 version seems to compile, it
will not run. When I apply the nCNS patch to CNS 1.1, again it seems to
compile, but will not run. )
>
> Regards,
> Anna Gardberg
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://www.phenix-online.org/mailman/listinfo/phenixbb
>