Thanks for the suggestions. However, in two different space groups,
I know the NCS contacts are similar, but the symmetry-related contact
can be different. Should I generate different masks for different
crystals? or it is not a big deal.
Another question. In my model, there is one domain which is fixed
in one molecule (good density, lots of lattice contacts) but flexible
in all other 5 molecules (no density, lacking lattice contacts).
When I left this domain out of the mask, the density of the domain
was gone after dmmulti. What should I do with this particular domain?
Thanks.
Jianghai
On Feb 22, 2007, at 4:59 AM, Kevin Cowtan wrote:
Two things:
1. You can do overlap removal in NCSMASK using the OVERLAP keyword.
2. You shouldn't be using 6 masks anyway - you only need one mask.
Dmmulti generates the rest internally.
On Feb 22, 2007, at 4:54 AM, Eleanor Dodson wrote:
You just need one mask for your master molecule, which will be
transferred by the matrices you give to all the other copies.
I make the mask from the crude model, with a generous border round
it - the program will also prune it to get rid of overlaps..
Eleanor
Jianghai Zhu wrote:
Dear all,
I have two low resolution (3.8 A) MAD data sets from two
different space groups. There are 4 copies of my molecule in one
space group and 2 copies in the other. The density-modified maps
from these data sets are poor, but still allow me to build a
crude model on them. All the domains should be at the right or
close to right orientations and positions. I would like to try
multi-crystal averaging to improve my maps. Since I already have
the model, I used NCSMASK to make 6 masks for the 6 copies of my
model. Then I used DMMULTI to perform the multi-crystal
averaging. The maps came out of DMMULTI showed great
improvement. Some densities were not seen before showed up
nicely. However, after I read the manual carefully, I realize
that DMMULTI would not take care of the mask overlap. So some
regions in my density map between the NCS-related and symmetry-
related molecules must be messed up. Could any expert out there
give me some suggestions about how to make proper NCS masks for
DMMULTI? Thanks at advance.
Jianghai
