Re: [ccp4bb]: aMoRe

[Bart Hazes <bhazes@ualberta.ca>]

***  For details on how to be removed from this list visit the  ***
***          CCP4 home page http://www.ccp4.ac.uk         ***


> Dear All:
>I am working on AMORE phaceing using a program AMORE in CCP4 package.
>The result out from transliation function is strange to me. The Tz is zero
>for all of the translation solutions. I am puzzled at it. Can any one give me
>a clue?

> SYMM p3

The translation function determines the position of your molecule in the plane
perpendicular to a symmetry axis. In your case, you only have one symmetry
operation; the 3-fold parallel to c. As a consequence the program can only
determine the Tx and Ty values in the plane perpendicular to c. You get a
valid solution for any value of Tz, Tz=0 is just a reasonable choice. This is
true for all polar space groups (those with a single rotational axis of
symmetry). In the extreme of space group P1, which has no rotational symmetry,
Tx, Ty, and Tz are all undefined and you can skip the translation function and
just put the molecule in a sensible place (e.g. centre it at the origin).

Bart

===============================================================================

Dept. of Medical Microbiology & Immunology
University of Alberta
1-15 Medical Sciences Building
Edmonton, Alberta, T6G 2H7, Canada
phone:	1-780-492-0042
fax:	1-780-492-7521

===============================================================================