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Sequence Versus Structure

Kyle McNamara

kmcnamara@ucsd.edu

This is a collection of all the source code used to control the work flow for all the prediction, alignment, and tree drawing software used in this project.

Master scripts

  • masterHandle.py
  • handleSeqTree.py

Alignment Prep

  • splitPDB.py
  • runsplitPDB.py
  • pullSeqFromPDB.py
  • runClustal.sh
  • kmutils.py
  • makeChainFile.py
  • getStuctures.py

Alignment

These scripts all accept a list of filenames for the .pdb files of structures to be analyzed. And, for output they generate a comma-separated distance matrix to be passed along to the tree drawing program.

  • runClick.py
  • runDeepAlign.py
  • runFatCat.py
    • Fatcat.sh
  • runMatt.py
  • runTMAlign.py

Tree Calculation and Illustration

  • neighborjoin.sh
  • printunrooted.py

Webpage

  • index.html
  • analysis.html
  • input.php
  • result.php
  • about.html
  • contact.html
  • override.css

Installed Programs, Libraries, and Dependencies

This is a list of all the installed software being used for this project.

  • DeepAlign (structure alignment)
  • FATCAT (structure alignment)
  • Click (structure alignment)
  • Modeller (for use by Click)
  • Matt (structure alignment)
  • TMalign (structure alignment)
  • ClustalW (sequence alignment)
  • PHYLIP (tree construction)
  • Mechanize (Python - tree printing)
  • Bootstrap (webpage)

Updated 6/14/13

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