Python program that can identify the residues interacting between chains of a complex protein.
Python program that can identify the residues interacting between chains of a complex protein.
This is a very basic program that needs as input a pdb file of interest.
The goal of this program is to analyze the coordinates of residues in differnt
chains to find out which of them actually interact.
Beeing part of a bigger project born to analyze the Hemoglobin complex,
it has an additional feature that allows to analyze also the interactions
with the Heme and Oxy groups.
Its usage is simple: run the program with the pdb file as input:
Ex $ ./pdb_parser.py pdb_file.pdb
Then it will ask you to select the firts chain and then its kind.
Just try it and you will see how easy is its functionality.
After that it will also ask for the second chain, the procedure is the same as before.
It will then print a table whith all the interacting atoms of the interacting residues of
both chains.
The printing format is quite nice as it’s done using pandas.
The table is saved as Interactions_csv/Chain_Inter + chain1 + chain2 .csv
— numpy —> python3 -m pip install numpy
— pandas —> python3 -m pip install pandas