METHOD AND SYSTEM FOR CONVERTING A PROTEIN DATA BANK FILE INTO A TWO-DIMENSIONAL NUMERICAL MATRIX
A system and a method for converting a protein data bank file into a two-dimensional numerical matrix is provided. The method also includes extracting PDB files from a PDB, using a data extraction module. The method further includes analyzing the PDB files using an analysis module for calculating and visualizing interatomic interactions in protein structures. The method further includes generating, using a file generation module, a comma separated values (CSV) file based on the analysis. The method further includes performing a featurization of the CSV file using a featurization module. The method further includes generating, using a matrix generating module, the two-dimensional numerical matrix based on the featurization.
1 . A processor-implemented method of converting a protein data bank file into a two-dimensional numerical matrix, the method comprising:
extracting PDB files from a PDB;
analyzing the PDB files for calculating and visualizing interatomic interactions in protein structures;
generating a comma separated values (CSV) file based on the analysis;
performing a featurization of the CSV file; and
generating the two-dimensional numerical matrix based on the featurization.
2 . The processor-implemented method of claim 1 , wherein performing the featurization comprises:
positioning a distance weightage of amino acids in the two-dimensional numerical matrix next to a predetermined row and a predetermined column upon on a predetermine criterion being satisfied.
3 . The processor-implemented method of claim 1 , wherein generating a CSV file based on the analysis comprises:
receiving a docked antibody-antigen complex file as input; and
generating the CSV file including a plurality of amino acids with respective bond distances.
4 . A system for converting a protein data bank file into a two-dimensional numerical matrix, the system comprising a processor configured to execute non-transitory machine-readable instructions that when executed causes the processor to:
extract PDB files from a PDB;
analyze the PDB files for calculating and visualizing interatomic interactions in protein structures;
generate a comma separated values (CSV) file based on the analysis;
perform a featurization of the CSV file; and
generate using the two-dimensional numerical matrix based on the featurization.
5 . The system of claim 4 , wherein the processor is further configured to:
position a distance weightage of amino acids in the two-dimensional numerical matrix next to a predetermined row and a predetermined column upon on a predetermine criterion being satisfied.
6 . The system of claim 4 , wherein the processor is further configured to:
receive a docked antibody-antigen complex file as input; and
generate the CSV file including a plurality of amino acids with respective bond distances.
7 . One or more non-transitory computer readable storage mediums storing one or more sequences of instructions, which when executed by one or more processors, causes a method for converting a protein data bank file into a two-dimensional numerical matrix, the method comprising:
extracting PDB files from a PDB;
analyzing the PDB files for calculating and visualizing interatomic interactions in protein structures;
generating a comma separated values (CSV) file based on the analysis;
performing a featurization of the CSV file; and
generating the two-dimensional numerical matrix based on the featurization.