From e30fab989b569856deaa025bc6e087d592d946d3 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Fri, 3 Nov 2023 15:39:40 +0100 Subject: [PATCH] add back removed setAnisous --- prody/proteins/pdbfile.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/prody/proteins/pdbfile.py b/prody/proteins/pdbfile.py index 05398e8fc..65079d6b6 100644 --- a/prody/proteins/pdbfile.py +++ b/prody/proteins/pdbfile.py @@ -883,6 +883,9 @@ def _parsePDBLines(atomgroup, lines, split, model, chain, subset, atomgroup.setElements(np.char.strip(elements)) from prody.utilities.misctools import getMasses atomgroup.setMasses(getMasses(np.char.strip(elements))) + if anisou is not None: + anisou.resize((acount, 6), refcheck=False) + atomgroup.setAnisous(anisou / 10000) if siguij is not None: siguij.resize((acount, 6), refcheck=False) atomgroup.setAnistds(siguij / 10000)