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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.