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fix adp matrix
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jamesmkrieger committed Apr 17, 2024
1 parent b7b2be2 commit c1b4767
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion prody/measure/measure.py
Original file line number Diff line number Diff line change
Expand Up @@ -811,7 +811,7 @@ def buildADPMatrix(atoms):
element[0, 1] = element[1, 0] = anisou[3]
element[0, 2] = element[2, 0] = anisou[4]
element[1, 2] = element[2, 1] = anisou[5]
adp[i*3:i*3, i*3:i*3] = element
adp[i*3:i*3+3, i*3:i*3+3] = element
return adp


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