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