Re: [modeller_usage] how to use multiple templates and applying restraints based on one structure.
To: "Bisignano, Paola" <>, "" <>
Subject: Re: [modeller_usage] how to use multiple templates and applying restraints based on one structure.
From: Modeller Caretaker <>
Date: Fri, 26 Apr 2019 15:36:24 -0700
On 4/26/19 11:00 AM, Bisignano, Paola wrote:
I would like to model missing portion of a solved protein structure by
using two different templates. I know that is pretty straightforward to
use multiple templates, but I would like to include restraints based on
the first entry only. Basically I would like to keep the first solved
structure as it is, and just move the residues lining the missing
portions, while using the second structure as a 'flexible' template.
Modeller generates restraints for all structures in the alignment. You
will likely get better structures if you carefully create a good
multiple alignment of both templates, and let Modeller use it. But if
you really don't want to use information from one template as
restraints, just leave it out of the alignment.
It is straightforward to only move part of the system, and to provide an
initial model. See