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Non-crystallographic symmetry (NCS) is important information as part of macromolecular structure solution.  Early determination of NCS in the multi-step structure solving process may provide a crucial guidance to substructure solution, and greatly help the subsequent steps, such as density modification and phase extension.  We provide here two programs for automatic detection of NCS as early as possible in the process.

Part I, Nasymm is a program that calculates number of monomers per asymmetric unit. This calculation considers not only solvent content and Matthew's coefficient, but also non-crystallographic symmetry displayed in self-rotation function. This program can be applied as soon as a new dataset is processed, and therefore should be the first step in structure determination.

Part II, NCSymm is a program that sorts substructure solutions into a table arranged by rigid, nominal monomers and by NCS relationship. This program may identify substructure sites that do not agree with the detected NCS, therefore these sites might be erroneous. This program also completes substructure solutions if missing.

Nasymm and NCSymm were released on 1/27/2004.

Please test Nasymm/NCSymm online, or see examples on what these programs can do.

The core of these programs is in form of Python modules, so that they may be easily incorporated into other software systems.

Contact us to get a copy of Nasymm/NCSymm or the Python modules and free trial license.


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