On Thursday, April 05, 2012 09:30:25 am Phil Jeffrey wrote:
> Fc doesn't contain the weighting scheme used in the creation of the map
> coefficients, so Fc would require some sort of program to be run to
> recreate those for both 2Fo-Fc and Fo-Fc maps.
The viewers I am familiar with do this for themselves on the fly.
No need to involve additional programs. In fact, generating and storing
map coefficients is not part of my work flow, since none of the programs
I normally use need them to be pre-calculated.
> By which time you might
> as well run a single cycle of the refinement program in question to
> generate new map coefficients - so I don't see the benefit of Fc.
You must use a different tool set than I do.
> The map coefficients, on the other hand, are a checkpoint of the maps
> being looked at by the author at the time of deposition and don't
> require programs beyond a typical visualization program (i.e. Coot) to view.
But is that a good thing or a bad thing?
I would rather make my own call about weighting and choice of maps,
so I would rather have the Fo and Fc. Anyhow, Coot reads in and displays
maps just fine from an mtz or cif file containing Fo and Fc but no
map coefficients. It is true that usually you want to have a value for
the FOM or other weight avalailable also.
cheers,
Ethan
> Phil Jeffrey
> Princeton
>
> On 4/5/12 12:00 PM, Ethan Merritt wrote:
> > On Thursday, April 05, 2012 08:25:05 am Francis E Reyes wrote:
> >> It seems that deposition of map coefficients is a good idea.
> >> Does someone have an mtz2cif that can handle this?
> >
> > Maybe I missed something.
> > What is accomplished by depositing map coefficients that isn't
> > done better by depositing Fo and Fc?
> >
> > Ethan
> >
>
>
--
Ethan A Merritt
Biomolecular Structure Center, K-428 Health Sciences Bldg
University of Washington, Seattle 98195-7742
