Re: [modeller_usage] Filling in Missing atoms for a docking complex
To: Jack Shultz <>
Subject: Re: [modeller_usage] Filling in Missing atoms for a docking complex
From: Modeller Caretaker <>
Date: Wed, 01 Apr 2009 09:15:37 -0700
Cc:
Jack Shultz wrote:
> I am new to modeller and I have not gone through the tutorial yet. I
> have submitted a couple of FASTA format files to mod web. I am would
> like to fix a problem with my docking complexes I get from autodock.
> Some of them are missing atoms in a given residue. It was suggested I
> either use Deep-View or Modeller to insert missing atoms. Can modeller
> indeed achieve this? Are there any existing scripts to perform this?
Certainly - that is straightforward, and in fact Modeller will do it
automatically. Just build a homology model using your existing model as
a template (the alignment will be simply 1:1 since the sequences are the
same). Use the regular modeling script at
http://salilab.org/modeller/9v6/manual/node16.html
If you want to keep the original conformation of part of the system, use
the script at http://salilab.org/modeller/9v6/manual/node23.html instead.
You can also use the same technique to fill in entire missing
*residues*; see http://salilab.org/modeller/wiki/Missing%20residues for
an example.
Ben Webb, Modeller Caretaker
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