https://github.com/thibaudcolas/moulinette

Bioinformatics (biochemistry) data processing scripts for NMR, and protein data analysis (PyMOL)
https://github.com/thibaudcolas/moulinette

biochemistry perl pymol python

Last synced: about 2 months ago
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Bioinformatics (biochemistry) data processing scripts for NMR, and protein data analysis (PyMOL)

• Host: GitHub
• URL: https://github.com/thibaudcolas/moulinette
• Owner: thibaudcolas
• Created: 2014-07-16T23:46:33.000Z (over 10 years ago)
• Default Branch: master
• Last Pushed: 2018-01-31T21:22:58.000Z (about 7 years ago)
• Last Synced: 2024-12-16T03:40:21.379Z (about 2 months ago)
• Topics: biochemistry, perl, pymol, python
• Language: Python
• Homepage:
• Size: 75.2 KB
• Stars: 3
• Watchers: 4
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

        
moulinette [![Build Status](https://travis-ci.org/thibaudcolas/moulinette.svg?branch=master)](https://travis-ci.org/thibaudcolas/moulinette)

==========

> A collection of scripts related to biochemistry.

## [NMR (Nuclear Magnetic Resonance)](https://en.wikibooks.org/wiki/Structural_Biochemistry/Proteins/NMR_Spectroscopy) collection

TODO

## [PDB (Protein Data Bank)](http://www.rcsb.org/pdb/home/home.do) collection

### Interface residues analysis (PyMOL integration)

To execute the scripts,

1. Download a [ZIP of this repository](https://github.com/thibaudcolas/moulinette/archive/master.zip)

```sh

cd PDB/

pymol -cqx fetch_and_store.py

./generate_config.py

./list.py

./list_spiced.py

./resn_statistics.py

./PDB/green_statistics.py ./PDB/test/green_fastas.txt ./PDB/test/green_IR.txt

```

#### Useful resources

**Install:**

- http://pymolwiki.org/index.php/Main_Page

- http://www.pymolwiki.org/index.php/MAC_Install

- http://www.pymolwiki.org/index.php/Linux_Install

- http://www.pymolwiki.org/index.php/Launching_From_a_Script

**Script writing:**

- http://pymolwiki.org/index.php/FetchLocal

- http://pymolwiki.org/index.php/LoadDir

- http://pymolwiki.org/index.php/Process_All_Files_In_Directory