From c6e88c3328f4e1737ae2e5acfcc1f70a3a5988f8 Mon Sep 17 00:00:00 2001 From: James Krieger Date: Thu, 31 Oct 2024 10:15:17 +0000 Subject: [PATCH] permit atomic input to deformAtoms --- prody/dynamics/sampling.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/prody/dynamics/sampling.py b/prody/dynamics/sampling.py index 272b230bd..0af1f0404 100644 --- a/prody/dynamics/sampling.py +++ b/prody/dynamics/sampling.py @@ -260,8 +260,8 @@ def deformAtoms(atoms, mode, rmsd=None, replace=False, scale=None): generate a coordinate set with given RMSD distance to the active coordinate set.""" - if not isinstance(atoms, AtomGroup): - raise TypeError('atoms must be an AtomGroup, not {0}' + if not isinstance(atoms, Atomic): + raise TypeError('atoms must be an Atomic object, not {0}' .format(type(atoms))) if not isinstance(mode, VectorBase): raise TypeError('mode must be a Mode or Vector instance, '