User:Wayne Decatur/Code for Molecular Structure and Visualization Work: Difference between revisions
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** 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 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. | ** 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/blob/master/python_scripts/super_basic_multiple_model_PDB_file_splitter.py super_basic_multiple_model_PDB_file_splitter.py] | ||
** A very basic multiple model PDB file splitting script written in Python. | ** 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. | ** 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. | ||
