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User:Wayne Decatur/Code for Molecular Structure and Visualization Work
From Proteopedia
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.
- It takes a multiple model PDB file and produces as output each of the models as a separate PDB file.
- 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
Webserver
- 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.
Code
See here for getting my code in a form you can use on your machine or that you can modify.
