maybe not a phenix issue, but with mr_rosetta:
What exactly is the nature of the fragment files used for MR/rebuilding? I'm an RNA guy and may have to generate them myself for certain projects. F --------------------------------------------- Francis E. Reyes M.Sc. 215 UCB University of Colorado at Boulder
Hi Francis, These fragment files are 3- and 9-residue pieces of proteins from the PDB, chosen on the basis of sequence similarity to 3- and 9-residue segments in the target protein. They are normally generated by the Robetta server (http://robetta.bakerlab.org/fragmentsubmit.jsp) from David Baker's lab. These files are used in mr_rosetta for filling in gaps. If your molecule has no gaps, then it doesn't need fragment files. Now...as to RNA...I have not tried mr_rosetta on RNA and I think that there may be some or even many things that might need adaptation for this. You could give it a try, but as soon as you run into trouble email me and I'll see if there is something I can do. All the best, Tom T On Aug 26, 2011, at 6:22 AM, Francis E Reyes wrote:
What exactly is the nature of the fragment files used for MR/rebuilding?
I'm an RNA guy and may have to generate them myself for certain projects.
F
--------------------------------------------- Francis E. Reyes M.Sc. 215 UCB University of Colorado at Boulder
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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 CBSS Center for Bio-Security Science web site: http://www.lanl.gov/cbss
participants (2)
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Francis E Reyes
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Tom Terwilliger