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 > > > -- Yu Zhang HHMI associate Waksman Institute, Rutgers University 190 Frelinghuysen Rd. Piscataway, NJ, 08904
