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New Script dssr_block is a wrapper for DSSR (3dna) and creates block-shaped nucleic acid cartoons
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Draw Protein Dimensions

Type Python Script
Download Draw_Protein_Dimensions.py
Author(s) Pablo Guardado Calvo
License
This code has been put under version control in the project Pymol-script-repo

This script will draw the dimensions of a protein based on an Inertia Axis Aligned Bounding Box (IABB).


The idea behind this script is to calculate an approximate minimal bounding box (MBB) to extract the cell dimensions of a protein. To calculate the MBB is not trivial and usually the Axis Aligned Bounding Box (AABB) does not show up the real dimensions of the protein. This script calculates the inertia tensor of the object, extract the eigenvectors and use them to rotate the molecule (using as rotation matrix the transpose of the eigenvector matrix). The result is a molecule oriented with the inertia axis aligned with the cartesian axis. A new Bounding Box is calculated, which is called Inertia Axis Aligned Bounding Box (IABB), with a volume always lower than the AABB volume, and in many cases may correspond with the MBB.

As always with these type of things, you have to use at your own ..→

A Random PyMOL-generated Cover. See Covers.