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"""Example: building a MthK K-channel tetramer | |
Rotate the monomer in pdb:3LDD around the 4-fold axis formed by the | |
K+-ions in the filter. | |
.. Note:: | |
This example is not exact; use the BIOMT record in the PDB to | |
create the real tetramer. | |
""" | |
import MDAnalysis | |
# need permissive to read HETATM (apparently...) | |
P = MDAnalysis.Universe('./data/3ldd.pdb', permissive=True) | |
filterK = P.select_atoms('resname K and resid 1:4') | |
monomer = P.select_atoms('protein') | |
axis = (filterK[0], filterK[-1]) # first to last filter ion | |
monomer.write('A.pdb') | |
monomer.rotateby(90, axis, filterK) | |
monomer.write('B.pdb') | |
monomer.rotateby(90, axis, filterK) | |
monomer.write('C.pdb') | |
monomer.rotateby(90, axis, filterK) | |
monomer.write('D.pdb') |