reforigin http://www.ccp4.ac.uk/dist/html/reforigin.html Does exactly what you want, but requires that the 2 PDB files have the same atoms - the CAONLY option can help with missing atoms, but it still won't work unless you have mutated your search model to the target sequence.
solution_check A utility from the Balbes package, included as a stand-alone binary in the latest ccp4. Alternative origins are documented in: http://www.ccp4.ac.uk/dist/html/alternate_origins.html HTH Martyn On Mon, 2010-01-18 at 11:47 +0900, Francois Berenger wrote: > Hello, > > 1) In the case I know the true structure (I am verifying I use Phaser > correctly), is there a program to do so? > > Some other questions, if I am to write this program by myself: > > 2) is there a list somewhere of the translation ambiguities for > each spacegroup? > For example, in P1 it would say me any translation on any axis > is fine. > > 3) is there a list of permissible origins for each space group? > For example, in P212121 it would say me there are 8 possible choices > and list them for me. > > I already know of symop.lib, but I don't think it has some of the > information I am looking for. > I also know the csymmatch example program of the clipper library, it > does part of what I intend to do. > > Thanks a lot, > Francois. -- *********************************************************************** * * * Dr. Martyn Winn * * * * STFC Daresbury Laboratory, Daresbury, Warrington, WA4 4AD, U.K. * * Tel: +44 1925 603455 E-mail: martyn.w...@stfc.ac.uk * * Fax: +44 1925 603825 Skype name: martyn.winn * * URL: http://www.ccp4.ac.uk/martyn/ * ***********************************************************************
