On Thu, 5 Apr 2012, Ethan Merritt wrote:
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.
Ethan,
If you load a mtz file from refmac or BUSTER then this file contains Map
Coefficients. Different programs and protocols produce different maps. So
I second Phil's comment that including map coefficients in deposition is a
really good thing. It will enable people to see exactly the maps as seen
by the depositor (and to do so in a few years time). Hence we have
included map coefficients in 3 recent depositions 3syu, 3urp, 3v56 (using
a prototype mtz2cif tool that is not quite ready for release yet).
We have also worked out how to patch ccp4 cif2mtz so that it can do the
reverse process see
https://www.jiscmail.ac.uk/cgi-bin/webadmin?A2=ccp4bb;325e1870.1112
Regards,
Oliver
