Dear Andy,
before answering your question, I dare say that since the rise
of sigma-A-weighted maps, simple Fo-Fc or 2Fo-Fc maps are deprecated and
one ought to use the appropriate sigma-A-weighted map instead.
Refmac5 produces data columns required both for sigma-A-weighted data
columns and a sigma-A-weighted difference map by default, and when you
auto-open the output mtz-file from refmac5 in coot, coot picks the correct
labels.
I'm sure phenix also puts out the corresponding data, CNS certainly does.
So do you want to know what program to use to generate the difference map?
That would be the refinement program of your choice. If you need a
map-file instead of an mtz-file, e.g. because you want to use it with
pymol, you can use fft and ask it to use the columns DELFWT and DELPHWT.
Or do you want to know what program to use to generate the actual image?
You can use bobscript, pymol, coot, a combination of O and Raster3D,
ccp4mg, and probably a long list of other rendering programs.
Maybe you could explain to which state of image creation you are
referring to.
Tim
--
Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen
GPG Key ID = A46BEE1A
On Wed, 17 Jun 2009, ANDY DODDS wrote:
Hello,
I was wondering what people used to generate difference map images of,
say, a ligand in their structures?
e.g. Figure 2a here
http://journals.iucr.org/f/issues/2009/05/00/tt5012/tt5012.pdf
Cheers,
Andy
