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
- Build Assign_4 executable using installation instructions below
- Run like this (where 'file' is a PDB file):
./Assign_4 file.pdb
- Output will be saved to center.csv and cadist.csv in the home directory
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
Run from parent directory
sudo rm -rf ProcessPDB
Developed and tested by Elijah Eason. Written entirely in C