Hi Partha, I think we don't have a tool for just what you want...but here is an idea given what you are trying: In coot build a short piece of polypeptide in the region where one ha site is located. Match the map in some way. Now rotate/translate this exact piece of chain over to your other sites and match the density there. Now use phenix.superpose_pdbs to find your ncs and put that in resolve. Good luck! -Tom t At 05:48 AM 5/22/2008, you wrote:

Hi,

Apologies for the strange question.

Since phenix has one fantastic tool for each kind of purpose, I was wondering if there is something that could combine features of USF Rave package for example.. basically the question arises from the difficulty of finding NCS operators in some cases, if we have less than three heavy atoms per molecule or map is too bad to build something.

I am trying to create a mask around a heavy atom site in the map, give it a translation to the next heavy atom which is probably in the next molecule, give a 6d rotation and use that in Resolve for NCS averaging.

Any suggestion / script would be greatly appreciated.

Cheers, Partha

-- MRC National Institute for Medical Research Division of Molecular Structure The Ridgeway, NW7 1AA, UK Email: [email protected] Phone: + 44 208 816 2515 _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb

Thomas C. Terwilliger Mail Stop M888 Los Alamos National Laboratory Los Alamos, NM 87545 Tel: 505-667-0072 email: [email protected] 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