User:Wayne Decatur/Code for Molecular Structure and Visualization Work: Difference between revisions
From Proteopedia
Jump to navigationJump to search
mNo edit summary |
mNo edit summary |
||
| Line 1: | Line 1: | ||
==My Python Code for Various Molecular Structure Visualization and Analysis Tasks== | ==My Python Code for Various Molecular Structure Visualization and Analysis Tasks== | ||
* [https://github.com/fomightez/structurework/tree/master/spartan_fixer SPARTAN_FIXER] | * [https://github.com/fomightez/structurework/tree/master/spartan_fixer 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 [http://fomightez.pythonanywhere.com/spartan_fixer/ here]. You can enter your data and have it analyzed without needing to download anything. | |||
* [https://github.com/fomightez/structurework/tree/master/python_scripts Python Scripts for Molecular Structure Analysis] | * [https://github.com/fomightez/structurework/tree/master/python_scripts Python Scripts for Molecular Structure Analysis] | ||
Revision as of 14:39, 21 October 2014
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.
- 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.
