Protein Contact Maps using Biopython
Mon Aug 26 2024 14:09:01 GMT+0000 (Coordinated Universal Time)
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@yonatan212
def calc_residue_dist(residue_one, residue_two) :
"""Returns the C-alpha distance between two residues"""
diff_vector = residue_one["CA"].coord - residue_two["CA"].coord
return numpy.sqrt(numpy.sum(diff_vector * diff_vector))
def calc_dist_matrix(chain_one, chain_two) :
"""Returns a matrix of C-alpha distances between two chains"""
answer = numpy.zeros((len(chain_one), len(chain_two)), numpy.float)
for row, residue_one in enumerate(chain_one) :
for col, residue_two in enumerate(chain_two) :
answer[row, col] = calc_residue_dist(residue_one, residue_two)
return answer
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https://warwick.ac.uk/fac/sci/moac/people/students/peter_cock/python/protein_contact_map/
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