[phenixbb] Phenix / Resolve build related..

Tom Terwilliger terwilliger at lanl.gov
Tue Jun 24 14:31:09 PDT 2008

Hi Partha,

Yes, you can input NCS matrices to the autobuild wizard (you can  
supply a file with these matrices in the format for resolve as  
"ncs_file=myncs.dat" ) and then it will try to use this information in  
autobuilding.  You need only 1 copy of the sequence; it will duplicate  
it for you.

Also, if autobuild can build a model, it will find the ncs for you  
automatically.  You might also try helices_strands_only=True to get a  
very quick model that might be good enough to find the ncs.

All the best,
Tom T
ps...did you try solving this as SAD? It would be great to see the  
data so that we can improve autosol and get it to solve this  

Thomas C. Terwilliger
Mail Stop M888
Los Alamos National Laboratory
Los Alamos, NM 87545

Tel:  505-667-0072                 email: terwilliger at LANL.gov
Fax: 505-665-3024                 SOLVE web site: http://solve.lanl.gov
PHENIX web site: http:www.phenix-online.org
ISFI Integrated Center for Structure and Function Innovation web site: http://techcenter.mbi.ucla.edu
TB Structural Genomics Consortium web site: http://www.doe-mbi.ucla.edu/TB
CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss

On Jun 24, 2008, at 3:20 PM, Partha Chakrabarti wrote:

> Hi,
> Sorry for the slightly off the topic question. I have a three
> wavelength SE MAD data to 3A, which I could only solve using SHARP or
> BP3. It seemed to have two monomers and each having one ordered SE
> sites. Found the NCS using RAVE programs, AVE, NCS6d and IMP.
> I am wondering if it is possible to give the NCS matrix (transposed
> from O format) and somehow tell Resolve (or Autobuild) to build
> multiple chains.. in this case, a homodimer. Do I need to duplicate
> the sequence?
> Regards, Partha
> -- 
> MRC National Institute for Medical Research
> Division of Molecular Structure
> The Ridgeway, NW7 1AA, UK
> Email: pchakra at nimr.mrc.ac.uk
> Phone: + 44 208 816 2515
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