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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. I was advised in a private e-mail to look at phenix.emma: http://www.phenix-online.org/documentation/emma.htm I think it is more powerful than csymmatch, I'll try to use it then. > Thanks a lot, > Francois.