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.
