Difference between revisions of "AngleBetweenHelices"

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{{Infobox script-repo
|type      = Python Module
|filename  = anglebetweenhelices.py
|author    = [[User:Speleo3|Thomas Holder]]
|license  = BSD
<gallery perrow=2 heights=191px widths=250px>
<gallery perrow=2 heights=191px widths=250px>
Image:Helix_orientation1.png|Orientation of a helix
Image:Helix_orientation1.png|Orientation of a helix
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== Python Code ==

Revision as of 04:41, 9 December 2011

Type Python Module
Download anglebetweenhelices.py
Author(s) Thomas Holder
License BSD
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