[phenixbb] Any real space map-mask / NCS utility?

Partha Chakrabarti ppchak at gmail.com
Thu May 22 04:48:50 PDT 2008


Apologies for the strange question.

Since phenix has one fantastic tool for each kind of purpose, I was
wondering if there is something that could combine features of USF
Rave package for example.. basically the question arises from the
difficulty of finding NCS operators in some cases, if we have less
than three heavy atoms per molecule or map is too bad to build

I am trying to create a mask around a heavy atom site in the map, give
it a translation to the next heavy atom which is probably in the next
molecule, give a 6d rotation and use that in Resolve for NCS

Any suggestion / script would be greatly appreciated.

Cheers, Partha

MRC National Institute for Medical Research
Division of Molecular Structure
The Ridgeway, NW7 1AA, UK
Email: pchakra at nimr.mrc.ac.uk
Phone: + 44 208 816 2515

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