Getting all dihedral angles in Pymol -


i want dihedral angles of protein in pymol (phi, psi, chi1, chi2, chi3, chi4) manage find function can shows me phi , psi.

for instance:

 pymol>phi_psi 1a11  ser-2:    (   67.5,  172.8 )  glu-3:    (  -59.6,  -19.4 )  lys-4:    (  -66.4,  -61.7 )  met-5:    (  -64.1,  -17.9 )  ser-6:    (  -78.3,  -33.7 )  thr-7:    (  -84.0,  -18.1 )  ala-8:    (  -85.7,  -40.8 )  ile-9:    (  -75.1,  -30.8 )  ser-10:   (  -77.6,  -47.0 )  val-11:   (  -61.3,  -27.4 )  leu-12:   (  -60.7,  -47.5 )  leu-13:   (  -71.1,  -38.6 )  ala-14:   (  -46.2,  -50.7 )  gln-15:   (  -69.1,  -47.4 )  ala-16:   (  -41.9,  -52.6 )  val-17:   (  -82.6,  -23.7 )  phe-18:   (  -53.4,  -63.4 )  leu-19:   (  -61.2,  -30.4 )  leu-20:   (  -61.1,  -32.3 )  leu-21:   (  -80.6,  -60.1 )  thr-22:   (  -45.9,  -34.4 )  ser-23:   (  -74.5,  -47.8 )  gln-24:   (  -83.5,   11.0 )

it's missing chiral angles. know how dihedral angles?

many thanks!

you can arbitrary dihedral angles get_dihedral. create 4 selections, each single atom , use this:

get_dihedral s1, s2, s3, s4

it's exposed python api cmd.get_dihedral(). suggest writing python script uses function along cmd.iterate() loop on residues. create dict on each residue can list of atom quadruples define chi-angles.


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