[phenixbb] rigid body refinement with electron density as a model
Edward A. Berry
BerryE at upstate.edu
Mon Apr 9 08:11:12 PDT 2018
On 04/05/2018 04:00 PM, Edward A. Berry wrote:
> I'm mostly using .eff files, and I do seem to have a line defining
> that parameter: solution_origin_ensemble = None
> So I would replace "None" with the ID of the ensemble if it is
> nearly in the right place?
In case anyone else is running phaser from .eff files, No that is NOT the way.
Leave that as "None" or comment it out and use:
mode = ANO CCA EP_AUTO MR_AUTO MR_FRF MR_FTF MR_PAK *MR_RNP NMAXYZ SCEDS
solution_at_origin = true
On 04/06/2018 05:26 AM, Randy Read wrote:
> I had to run some test jobs to check how this would work in a .eff file. So, actually, what you need to do is to go to the ensemble section of the .eff file where the model to be fixed is defined, and set "solution_at_origin = True". That works for both models specified as PDB files or as density, as long as they're close to being in the correct position.
More information about the phenixbb