Difference between revisions of "AngleBetweenHelices"
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Revision as of 10:00, 15 January 2012
|This code has been put under version control in the project Pymol-script-repo|
Calculate angle between alpha-helices or beta-sheets. There are four different methods implemented to fit a helix, two of them also work for sheets or loops.
helix_orientation selection [, visualize [, sigma_cutoff [, quiet ]]] helix_orientation_hbond selection [, visualize [, cutoff [, quiet ]]] loop_orientation selection [, visualize [, quiet ]] cafit_orientation selection [, visualize [, quiet ]] angle_between_helices selection1, selection2 [, method [, visualize [, quiet ]]]
import anglebetweenhelices fetch 2x19, async=0 select hel1, /2x19//B/23-36/ select hel2, /2x19//B/40-54/ # just calculate/visualize orientation of single alpha-helix helix_orientation_hbond hel1 # get angle between two helices angle_between_helices hel1, hel2 angle_between_helices hel1, hel2, method=1 angle_between_helices hel1, hel2, method=2 # get angle between beta-sheets select sheet1, A/47-54/ select sheet6, A/146-149/ angle_between_helices sheet1, sheet6, method=loop_orientation angle_between_helices sheet1, sheet6, method=cafit_orientation
PyMOL>angle_between_helices hel1, hel2, method=cafit_orientation Using method: cafit_orientation Angle: 145.08 deg