Re: [modeller_usage] Treading onto known PDB template
To: Geoffrey Woollard <>
Subject: Re: [modeller_usage] Treading onto known PDB template
From: Modeller Caretaker <>
Date: Wed, 8 Jul 2020 13:05:30 -0700
Cc:
On 7/8/20 5:46 AM, Geoffrey Woollard wrote:
Using the example https://salilab.org/modeller/9.24/manual/node29.html,
let's say I just want to model a subsequence in the middle
(YRKMWCDAFCSSRGKVVELGCAATCPSKK, residues 24-52). How would I change the
ali file. I'm getting stuck on the "structureX:2abx: 24 :A:52 :B" part
since really it's 24-52 in chain A and 24-52 in chain B, not 24 in chain
A to 52 in chain B.
You can only specify a single residue range in your alignment file, so
this will have Modeller read the ATOM/HETATM records from your PDB
starting at residue 24 in chain A, until it reaches residue 52 in chain
B. If you're not interested in residues 53+ in chain A or 1-23 in chain
B, either include the sequence but align it with gaps in the target, or
delete the coordinates from the PDB file using a text editor.