/Protein_Interface

Python script for calculating interface atoms from PDB files

Primary LanguagePython

Protein_Interface

Python script for determining interface atoms between two chains of a protein using Euclidean distance.
Many biological functions involve the formation of protein-protein complexes. A complex is a structure consisting of two or more interacting proteins. The interface of interacting proteins is defined as the set of amino acids of the two proteins within a certain threshold distance. The characterization of protein-protein interfaces is important because it will enable the prediction of protein interactions providing insight into their function.

Input arguments:

  • -i: Input PDB file
  • -c1: Chain1 of PDB file
  • -c2: Chain2 of PDB file
  • t: Distance threshold

Execution of script:

./protein_interface.py -i <input PDB file> -c1 <Chain 1> -c2 <Chain 2> -t <distance threshold>

Sample output:

Sample_output_1 Sample_output_2