Rotkit

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Type Python Script
Download rotkit.py
Author(s) Troels E. Linnet
License BSD
This code has been put under version control in the project Pymol-script-repo

Contents

Introduction

This script-kit is a collection of small script to be able to precisely to put a molecule (like a dye) where you want in relation to a protein.

You can also create rotational states of a domain or simulate a dye freedom.

It simply makes the PyMOL TTT matrixes, in a easy and user friendly way. The calls to the functions available in PyMOL, takes care of all the conversion of input and such.

If you are interested in this, you might also want to check out the PyMOL Chempy module that is included in PyMOL. It provides handy vector and matrix functions.

Functions available in PyMOL

Available through rotkit.functionname

Example of use

Example 1 - Make a rotation of domain

Download: examples/rotkit_1.pml
This code has been put under version control in the project Pymol-script-repo

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Example 2 - Simulate dye freedom

Download: examples/rotkit_2.pml
This code has been put under version control in the project Pymol-script-repo

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Example 3 - Create distance distribution histogram

Download: examples/rotkit_3.pml
This code has been put under version control in the project Pymol-script-repo

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Example 4 - A tutorial file

To understand how the functions works, read through the tutorial. Hash/Unhash "##" each step at the time to see the effect. To be able to follow the tutorial, you need the dye molecule, which is loaded from the Pymol-script-repository.

Download: examples/rotkit_4.pml
This code has been put under version control in the project Pymol-script-repo

ERROR in secure-include.php: could not read the given src URL https://raw.github.com/Pymol-Scripts/Pymol-script-repo/master/examples/rotkit_4.pml

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