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A quick script that uses biopython to determine which residues are bound from an antibody to an antigen within a PDB file.

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mah51/determine-bound-residues

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A simple python script used to determine residues within an antibody CDR that are bound to an antigen for a given antigen-antibody structural complex; presented as a PDB file.

CDR's are extracted using cothia numbering scheme, it is known that binding of 2 residues on either side of the CDR can occur, thus these are included (var EXTRA_RESIDUES controls this). CDR residues within 4Å of the antigen are classed as bound (var CONTACT_DISTANCE controls this).

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A quick script that uses biopython to determine which residues are bound from an antibody to an antigen within a PDB file.

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