RRCS (Residue-residue contact score)
RRCS can quantitatively evaluates residue contacts based on structural information. Please see workflow.jpg for the workflow of RRCS calculation.
Usage: python RRCS_calculation.py pdb_filename
Output format: Residue_1[Chain ID:Residue ID_Residue] Residue_2[Chain ID:Residue ID_Residue] RRCS
Example: for 2RH1.pdb, run "python RRCS_calculation.py 2RH1.pdb" and got output file "2RH1.pdb.cscore".
The top 10 rows of 2RH1.pdb.cscore is shown below:
A:51_ASN A:79_ASP 2.957555
A:51_ASN A:319_SER 2.449470
A:51_ASN A:80_LEU 0.746105
A:51_ASN A:323_PRO 2.886263
A:51_ASN A:76_ALA 3.645254
A:108_PHE A:170_GLN 0.400661
A:108_PHE A:166_PHE 0.976889
A:108_PHE A:112_ILE 3.025927
A:1054_THR A:1058_ILE 0.580526
A:168_PRO A:199_TYR 1.082637