From 7b622d907f55f12d1b155a90a9406202ae35f88b Mon Sep 17 00:00:00 2001 From: James Krieger Date: Wed, 17 Apr 2024 18:27:35 +0200 Subject: [PATCH] same for adp axes --- prody/measure/measure.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/prody/measure/measure.py b/prody/measure/measure.py index 4d8678fd2..31c3dc117 100644 --- a/prody/measure/measure.py +++ b/prody/measure/measure.py @@ -729,7 +729,7 @@ def calcADPAxes(atoms, **kwargs): # Make sure the direction that correlates with the previous atom # is selected vals = vals * sign((vecs * axes[(i-1)*3:(i)*3, :]).sum(0)) - axes[i*3:i*3, :] = vals * vecs + axes[i*3:i*3+3, :] = vals * vecs # Resort the columns before returning array axes = axes[:, [2, 1, 0]] torf = None