[Chimera-users] turning ksdssp off?

Eric Pettersen pett at cgl.ucsf.edu
Mon Mar 15 16:17:10 PDT 2010


Hi Sumitro,
	The shortest answer is no, there is no way (barring some Python  
shenanigans).  You could clear SS assignments afterward with:

setattr r isHelix false #
setattr r isStrand false #

Can you describe why you want to turn off the SS computation?  We  
might make it optional somehow if it was of general use.

--Eric

                         Eric Pettersen
                         UCSF Computer Graphics Lab
                         http://www.cgl.ucsf.edu

On Mar 14, 2010, at 6:54 AM, Sumitro Harjanto wrote:

> Hi,
>
> Is there any way to turn off automatic secondary structure  
> assignment upon opening a pdb file that does not contain secondary  
> assignments?
>
> Cheers,
> Sumitro
>
> ---------------------------------------------------------------------------------------------------------------------------------------------
>> Opening B-7301_SRWGYQVKH_1K5N.pdb...
> Computing secondary structure assignments...
> Computed secondary structure assignments (see reply log)
> Model 2 (B-7301_SRWGYQVKH_1K5N.pdb) appears to be a protein without  
> secondary structure assignments.
> Automatically computing assignments using 'ksdssp' and parameter  
> values:
>   energy cutoff -0.5
>   minimum helix length 3
>   minimum strand length 3
> Use command 'help ksdssp' for more information.
>


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