[phenixbb] auto-open MTZ scheme

Paul Emsley paul.emsley at bioch.ox.ac.uk
Fri Jan 29 02:10:01 PST 2010

Pavel Afonine wrote:
> Probably "F_phi.F" in "xxx.F_phi.F" above also should be something 
> informative.

It is already informative.  It tells Coot that this is an 
"auto-open-able" column.

> For example, it should reflect the map type:
> 2mFo-DFc
> 2Fo-Fc
> 2mFo-DFc (computed with missing Fobs filled with DFc)
> 2Fo-Fc (computed with missing Fobs filled with DFc)
> Kick maps
> Anomalous difference map
> etc...
> in some obvious way.

Those descriptions should go in the groupname (difference maps should 
have the .DF_phi.DF suffix)

> Currently, phenix.refine has to output 2mFo-DFc map with labels 
> (2FOFCWT,PH2FOFCWT) simply because this is what Coot will automatically 
> recognize. Looking at (2FOFCWT,PH2FOFCWT) it is absolutely not obvious 
> which map it is (unless you coded it therefore know).

I agree.

>  However, something 
> like (2mFoDFc, PH2mFoDFc) has the same length as (2FOFCWT,PH2FOFCWT) but 
> much more informative.


> For kick or missing-Fobs-filled maps, one can simply add a suffix to 
> corresponding map name, for example:
> (2mFoDFc_fill, PH2mFoDFc_fill)
> (2mFoDFc_kick, PH2mFoDFc_kick)

OK, so do we agree that _xxx it should go in the groupname?



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