Re: [modeller_usage] Why Modeller gives me an error?
To: Studia Studia <>,
Subject: Re: [modeller_usage] Why Modeller gives me an error?
From: Modeller Caretaker <>
Date: Wed, 18 Dec 2019 09:11:45 -0800
On 12/18/19 7:01 AM, Studia Studia wrote:
Hello. I need to optimize amino acids located 5A from the ligand for
this purpose I use this code:
...
This works for most structures but for a few I have this error:
mdl.restraints.pick(select4)
File "C:\Program Files
(x86)\Modeller9.21\modlib\modeller\restraints.py", line 94, in pick
raise ValueError("selection refers to a different model")
ValueError: selection refers to a different model
For some of your structures there are no amino acids within 5A of the
ligand, so the selection is empty. I'll improve the wording of the error
message here. You'll need to check for an empty selection and handle
such structures accordingly (perhaps just skip them), e.g.