I would be very much afraid that the only way to get the masks
properly would be to edit them interactively.
I used to do that in the PHASES package by Bill Furey and MapViewX
which is still alive and kicking under the BnP flagship.
I am pretty sure though that Dr. DVD will be online soon and will
point out the correct succession of MAMA/RAVE/O commands ;-)
A.
On Feb 22, 2007, at 1:08, Jianghai Zhu wrote:
Forgot to mention that the NCSs are improper.
On Feb 21, 2007, at 6:22 PM, 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
