[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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