Hello All,
What is the current state of the art with respect to density
modification after molecular replacement? In other words, what
programs are people having the best luck with these days?
Thanks in advance for any hints.
James
Hi James,
I usually use DM in teh CCP4 suite to do DM. It gives you options to
do solvent flattening, Histogram matching and NCS averaging.
If you compare the FOM to the DMFOM in the mtz files, you can usually
see and improvement in the score. That is usually all I bother my
arse to look at.
Your split between Rfree and R suggests you are using refmac. (I also
got a hint when you explicitly said you were using refmac.) Although
there are many efficient ways to get stuck in a refinement, I have
found the most effective by far is underweighting the structure
factors and falling
..and I may add that for DMMULTI two rather nonisomorphous data
sets of the same crystal form can work like a dream, in particular at
low resolution where solvent flattening and histogram matching can be
tricky, see for example Morth et al. 2007, Nature 450, 1043 Pedersen
et al. 2007,
Jusht my two penneth...
Any list of DM programs worth a punt after MR *musht* *shurely*
include *resholve*?
Resolve ± 'primeswitch' ± NCS pretty much always comes up with the
goods for me.
Dave
2009/4/15 James Stroud xtald...@gmail.com:
Hello All,
What is the current state of the art with
Dear James and Andy,
my twopenny worth. I am using dm
and dmmulti to solvent
flatten after molecular replacement phases when no shred of
experimental
phases is available. If the model is severely incomplete
(say at least 25% missing or more) I use phases
I have to use refmac for licencing reasons, sadly, unless someone can
recommend an entirely free refinement program to anyone including
industry/people in limbo etc.
Actually, I was just thinking. In the new MTZ files (which helpfully
I dont have on me) there are new values with 'DM' added to
