[phenixbb] model symmetrisation

Pavel Afonine pafonine at lbl.gov
Wed Jun 7 15:14:55 PDT 2023


Hi Dmitry,

two options:

1) The model file (PDB or mmCIF) contains symmetry information as BIOMT 
records and one asymmetric part of the molecule, then

phenix.pdb.biomt_reconstruction model.pdb

will generate the whole 14mer.

2) You have the map that covers the whole 14mer and the model (PDB or 
mmCIF) that contains only one one asymmetric part:

- Get symmetry operators from the map using phenix.map_symmetry.
- Apply symmetry operators from the previous step to the model using 
phenix.apply_ncs to generate 14mer.

All of the command line instructions above can also be run in the Phenix 
GUI.

Pavel

On 6/7/23 01:48, Dmitry A. Semchonok wrote:
>
> Dear colleagues,
>
> I want to symmetrise the monomer to complete the model (14 
> homo-oligomeric subunits) with D7 symmetry.
>
> Is there a tool that can be used to multiply my monomer with D7 
> symmetry to fulfil the cryo-EM model?
>
> What are the steps for that?
>
> Thank you
>
> Kind regards,
>
> Dmitry
>
>
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