Unverified Commit e2e7b319 authored by Hrishikesh Dhondge's avatar Hrishikesh Dhondge Committed by GitHub
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Improved handling of CRYST1 records #3446 (#3469)



* Improved handling of CRYST1 records #3446

* Apply suggestions from code review
Co-authored-by: default avatarJason Swails <jason@entos.ai>
Co-authored-by: default avatarJason Swails <jason@entos.ai>
parent 334359e6
......@@ -196,6 +196,7 @@ class PdbStructure(object):
alpha = float(pdb_line[33:40])*math.pi/180.0
beta = float(pdb_line[40:47])*math.pi/180.0
gamma = float(pdb_line[47:54])*math.pi/180.0
if 0 not in (a_length, b_length, c_length):
self._periodic_box_vectors = computePeriodicBoxVectors(a_length, b_length, c_length, alpha, beta, gamma)
elif command == "SEQRES":
chain_id = pdb_line[11]
......
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