superpose has two options undfer CCP4i. Choose match numbered residues ( not SSM)
Then you must give two files to match - in your case that means naming your model twice. Then say you want to match residues 1 to 20 Chain A to residues 1 to 20 CHAIN B tever span you want to fit. It will give you the rotation matrix and translatioor n vector Eleanor or wha On Mon, 25 Jul 2011 14:31:33 -0400, zhang yu <[email protected]> wrote: > Thanks for all the reply. I am able to use "phenix.find_ncs" find NCS > operators for all the chains. But it doesn't give a NCS matrix between > whole > molecules in ASU. Is that right or I missed something? > > In "SUPERPOSE" of CCP4, How to ask the program to calculate the NCS > operator? It asks me to input two structures and will output another pdb > file. > > Yu > > 2011/7/25 Frederic VELLIEUX <[email protected]> > >> You need to specify which format (i.e. for which program) since the >> conventions used are different. I personally use suppos >> which provides a rotation matrix plus translation vector. Row by row for >> the matrix. Some programs use a column by column approach, the transpose >> of >> the rotation >> matrix, or a set of 3 angles (with several conventions possible) >> >> > Message du 25/07/11 19:24 >> > De : "zhang yu" >> > A : [email protected] >> > Copie à : >> > Objet : [ccp4bb] Non-crystallography symmetry operator >> > >> > Hi, >> > >> > Does any one know which software could calculate and output >> > non-crystallography symmetry operator? >> > >> > I am working on a structure with two molecules in one ASU, and two >> identical >> > subunits in each of one molecule. I would like to know the >> > non-crystallography operator of the two molecules, and also NCS >> > operator >> of >> > two subunits in the same molecules. >> > >> > Thanks >> > >> > Yu >> > >> > -- >> > Yu Zhang >> > HHMI associate >> > Waksman Institute, Rutgers University >> > 190 Frelinghuysen Rd. >> > Piscataway, NJ, 08904 >> > >>
