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.
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
