DM will produce its own mask if you provide the operators - the only
time you really need a mask is for cross-crystal averaging.
Eleanor
m zhang wrote:
Hi All,
I was trying to make a model-mask file for ncs-averaging in DM. I noticed that in CNS, the mask file has to be O-compressed. Does that mean if I read in O the mask file and write it out, the output file is already in O-compressed format?
Related to the first question, the second one is: if I want to use just heavy
atom sites to produce a mask file, will that work if there is NCS between them?
My understanding is that the mask file just tell the DM program what is to be
averages and where is the density to be averaged, am I right? Any suggestion
are very welcome!
Thanks,
Zhang
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