[ccp4bb]: origin definition

[Bernard Santarsiero <bds@uic.edu>]

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

I have a set of phases from an MIR run in SOLVE and a potential molecular
replacment solution of about half the structure in space group P3.  They
have different origins in Z since it's either defined by the set of heavy
atom positions in SOLVE, or the set of coords in the MR search model.  I
want to compare the SOLVE phased map and the MR sfall/2Fo-Fc map.  I see
at least two possibilities:
1.  mask a map region around the model of the MR solution and move it
around the phased map; the highest CC should indicate the best overlap of
the two maps. I think I can use RAVE to do this.
2.  calculate a series of phases and list the 00l's with phases. Each set
is from a set of coords that have been translated in Z. At some point,
these phases should match those from the SOLVE solution. 

As for point #2, I can't seem to get sfall or sigmaa to output the
Hendrickson-Lattman coefficients, which would be useful.  Suggestions?

Bernie Santarsiero