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ProcessPDB - Elijah Eason

The Assign_4 executable reads in a PDB (Protein Data Bank) file and produces two CSV files from it:

  • center.csv - Each line in this file reads: ResidueName, ResidueIndex, Pseudocenter X-Coordinate, Pseudocenter Y-Coordinate, Pseudocenter Z-Coordinate
  • cadist.csv - Each line in this file reads: ResidueAName, ResidueAIndex, ResidueBName, ResidueBIndex, Distance between CA atom in current residue and CA atom in next residue

Usage

  1. Build Assign_4 executable using installation instructions below
  2. Run like this (where 'file' is a PDB file):

./Assign_4 file.pdb

  1. Output will be saved to center.csv and cadist.csv in the home directory

Installation from Github

git clone https://github.com/dassit-sys/ProcessPDB.git
cd ProcessPDB

Build using:

sudo su

(sudo needed to copy README and LICENSE to /.local)

cmake ./
make
make install

Uninstallation

Run from parent directory

sudo rm -rf ProcessPDB

Development

Developed and tested by Elijah Eason. Written entirely in C