mlphare

[ingo korndoerfer <INGO@uoxray.uoregon.edu>]

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

dear ccp4 users,

this is probably going to cause a major flooding of my
mailbox. anyways ...

why exactly is the refinement of heavy atom sites in mlphare 
dependent of the order i put my sites in ?

i'm not talking about floating point differences, again.
rather, it seems, that whatever my first input site is,
does not refine AT ALL. the others look allright.

- if the sites are no good, why don't they then all blow  
  up in mlphare ? why always the first one ?
  dummy sites don't refine, no matter which position they are in,
  so that is good.
- is it stupid to put a single derivative into mlphare ?
  ( i guess it is, but i whas hoping to get some assessment
    of the quality of my sites )
- is this a spcgrp C2 problem ?

i am somewhat confident in my sites, since shake and bake,
as well as rsps (on the sgis that is, not the alphas ... :-)
find the same set, independently.

thanks already to all of you.


                  humble greetings

                                      ingo