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Re: mutate_model



This should do the trick.  
Enjoy,
Eli
----- Original Message ----- 
From: "Asmat Salim" <>
To: <>
Sent: Friday, August 01, 2003 12:58 PM
Subject: mutate_model


> Dear MODELLER users
> 
> I want to mutate a single residue in a model. I run the TOP file given
> in the tutorial (with 1fas.pdb) successfully. There are two options
> given: in one case the specified residue is mutated whenever it appears
> in the structure. This runs fine. But in case of the second option,
> (where a segment is specified) all the residues are mutated instead of
> one.
> 
> Following is the part of the TOP file.( to change residue 14 to Cys)
> # The second example is commented out; it selects residues '1' and '10'.
>  SET SELECTION_SEARCH = 'SEGMENT', SELECTION_FROM   = 'ALL'
>  PICK_ATOMS SELECTION_SEGMENT =  '14'  '14',  SELECTION_STATUS =
> 'INITIALIZE'
> 
> # Mutate the selected residues into HSD residues (neutral HIS):
> MUTATE_MODEL RESIDUE_TYPE = 'CYS'
> 
> 
> This works perfectly fine with 1fas.pdb but not with my model.
> Can you point out where I am going wrong.
> 
> regards
> 

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