Pavel,

 

Sometimes truncation/mutation  to poly-gly or poly-Ser is desirable. If not already present could this be another option? Another interesting option would be to be able to change OR keep the residue names of the template to be mutated. Sometimes it is useful to chop the sidechains, but still be able to tell what residue this is supposed to be via the residue name. Again some of this may already be present, haven’t had a chance to play around with this.

 

From: [email protected] [mailto:[email protected]] On Behalf Of Pavel Afonine
Sent: Wednesday, May 13, 2009 3:56 PM
To: PHENIX user mailing list
Subject: Re: [phenixbb] mutate to polyAla

 

I just realized that you could do it even without using truncate_to_polyala:

phenix.pdbtools model.pdb keep="backbone"

or, equivalently:

phenix.pdbtools model.pdb remove="sidechain"

and it works for both: proteins and RNA/DNA.

Pavel.


On 5/13/09 12:43 PM, Francis E Reyes wrote:

Though the original question was for protein, is there a mutate to  
poly C for RNA as well? :)
 
It just came to mind right now.
 
FR
 
 
 
On May 13, 2009, at 1:42 PM, Pavel Afonine wrote:
 
  
Hi,
 
the next nightly build of PHENIX will have this option available from
phenix.pdbtools.
 
Example:
 
phenix.pdbtools model.pdb truncate_to_polyala=true
 
As always, any feedback will be very appreciated.
 
Pavel.
 
 
On 5/7/09 7:01 AM, Francis E Reyes wrote:
    
Is there an option or a phenix.* utility to mutate a MR model to poly
ALA before the MR is done?
 
      
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