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| + | {{Infobox script-repo | ||
| + | |type = Python Module | ||
| + | |filename = anglebetweenhelices.py | ||
| + | |author = [[User:Speleo3|Thomas Holder]] | ||
| + | |license = BSD | ||
| + | }} | ||
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Image:Helix_orientation1.png|Orientation of a helix | Image:Helix_orientation1.png|Orientation of a helix | ||
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[[Category:Structural_Biology_Scripts]] | [[Category:Structural_Biology_Scripts]] | ||
Revision as of 09:41, 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 | |
Orientation of a helix
Orientation of two helices, their angle that separates the two is 145.08 degrees as reported by the script
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.
Commands
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 ]]]
Example
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
Output:
PyMOL>angle_between_helices hel1, hel2, method=cafit_orientation
Using method: cafit_orientation
Angle: 145.08 deg