Inertia tensor: Difference between revisions
Jump to navigation
Jump to search
No edit summary |
PedroLacerda (talk | contribs) No edit summary |
||
| (2 intermediate revisions by 2 users not shown) | |||
| Line 1: | Line 1: | ||
{{Infobox script-repo | {{Infobox script-repo | ||
|type = Python Module | |type = Python Module | ||
|filename = inertia_tensor.py | |filename = scripts/inertia_tensor.py | ||
|author = [http://www.mattmaciejewski.com Mateusz Maciejewski] | |author = [http://www.mattmaciejewski.com Mateusz Maciejewski] | ||
|license = MIT | |license = MIT | ||
}} | }} | ||
[[Image:It.png|300px|right]] | |||
This script will draw the eigenvectors of the inertia tensor of the selected part of the molecule. | This script will draw the eigenvectors of the inertia tensor of the selected part of the molecule. | ||
| Line 21: | Line 23: | ||
show cartoon | show cartoon | ||
run inertia_tensor.py | run inertia_tensor.py | ||
tensor 4b2r & n. n+ca+c & i. 569- | tensor 4b2r & n. n+ca+c & i. 569-623, tensor_dom11, 1 | ||
</source> | </source> | ||
| Line 32: | Line 34: | ||
[[Category:Script_Library]] | [[Category:Script_Library]] | ||
[[Category:UI_Scripts]] | [[Category:UI_Scripts]] | ||
[[Category:Pymol-script-repo]] | |||
Latest revision as of 23:56, 22 June 2025
| Type | Python Module |
|---|---|
| Download | scripts/inertia_tensor.py |
| Author(s) | Mateusz Maciejewski |
| License | MIT |
| This code has been put under version control in the project Pymol-script-repo | |
This script will draw the eigenvectors of the inertia tensor of the selected part of the molecule.
Usage
tensor selection, name, model
Examples
To draw the inertia tensor of the first model in PDB file 4B2R do:
fetch 4b2r, async=0
hide lines
show cartoon
run inertia_tensor.py
tensor 4b2r & n. n+ca+c & i. 569-623, tensor_dom11, 1
Reference
A figure generated using this script can be seen in the following reference:
- Estimation of interdomain flexibility of N-terminus of factor H using residual dipolar couplings. Maciejewski M, Tjandra N, Barlow PN. Biochemistry. 50(38) 2011, p. 8138-49, fig. 1 doi:10.1021/bi200575b