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

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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.

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Wayne Decatur

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