[sharp-discuss] Model + HA on floating origin

[Frank von Delft]

Hi

We have the following case:

* Se-SAD dataset (3.3ish), substructure solves easily, but phases not 
quite good enough.

* MR solution on same dataset from rather distant homologue (<25%ID), 
phases also not quite good enough.

* MR solution aligns well (enough) with Se substructure, so both 
solutions are correct.

We want to combine the two in Sharp.  However:  It's R3, so there is a 
floating origin, and aligning a dodgy MR template with the Se sites is 
tricky, or one uses the ccp4 jiffy.  But what about Sharp, is it bright 
enough to spot this and optimize the various phase sets before it starts 
refining?

(I ask because combining the non-optimized substructure and MR model 
does not do wonders yet for the phases.)


II. Does autosharp do anything magical such a substructure+model 
combination, or does it really just cycle automatically what can be done 
by hand?


phx.