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fix pqr anisou not defined
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jamesmkrieger committed Aug 14, 2024
1 parent c3446c4 commit 0b88f43
Showing 1 changed file with 1 addition and 2 deletions.
3 changes: 1 addition & 2 deletions prody/proteins/pdbfile.py
Original file line number Diff line number Diff line change
Expand Up @@ -490,11 +490,10 @@ def _parsePDBLines(atomgroup, lines, split, model, chain, subset,
elements = np.zeros(asize, dtype=ATOMIC_FIELDS['element'].dtype)
bfactors = np.zeros(asize, dtype=ATOMIC_FIELDS['beta'].dtype)
occupancies = np.zeros(asize, dtype=ATOMIC_FIELDS['occupancy'].dtype)
anisou = None
siguij = None
else:
radii = np.zeros(asize, dtype=ATOMIC_FIELDS['radius'].dtype)

anisou = None
asize = 2000 # increase array length by this much when needed

start = split
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