User:Wayne Decatur/Code for Molecular Structure and Visualization Work

Revision as of 16:51, 21 October 2014 by Wayne Decatur (Talk | contribs)

My Python Code for Various Molecular Structure Visualization and Analysis Tasks

SPARTAN_FIXER
- a python program that fixes Spartan'08 output files in so-called PDB format, converting them to be true PDB format. The fixed files can then easily be used in Jmol.
- A webserver version of this is is running here. You can enter your data and have it analyzed without needing to download anything.
super_basic_multiple_model_PDB_file_splitter.py
- A very basic multiple model PDB file splitting script written in Python.
- This basic version requires you to paste the complete PDB file text into the script before you run it. Eventually I hope to post a more user-friendly version where you simple enter the file you want as an argument. It will have more bells and whistles. In the meantime I put this out there in case it helps anyone.
Wayne Decatur's Python Scripts for Molecular Structure Analysis

Much of the more involved code featured here is running in a webserver form here. You can enter your data and have it analyzed without needing to download anything.

See here for getting my code in a form you can use on your machine or that you can modify.