[phenixbb] 3x4 matrix for wwPDB deposition

[Christian Tüting]

Hi Phenix Dev team and mailing list recipients, 


i have a question regarding the 4x3 matrix in the wwPDB deposition assembly tab.

I am wondering, if there is an easier way, than what I am currently doing.

This is my current workflow:
# get the map symmetry
phenix.map_symmetry symmetry=O map.mrc

# apply symmetry on monomer
phenix.apply_ncs mono.pdb symmetry_from_map.ncs_spec

# get biomt from complex
phenix.find_ncs apply_ncs.pdb

# isolate wwPDB deposition 3x4 matrix
awk '{print substr($0, 25)}' find_ncs.biomt > 3x4_matrix

And this feels a bit redundant, as I already have the symmetry operation directly from the beginning, but the monomeric localization is missing. Is there an easier way to get the 3x4 matrix?

This is still fast, so this is fine, but maybe there is an easier, single line solution.

Best
Christian


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