NCS averaged map

[Mark A. White, Ph.D.]

Robert,

The CNS script

ncs_average_map.inp

includes a coeff (hkl,Fo,Fc,Phi) output which is of the NCS averaged
map, but it does not do iterative phase
extension.

I have written a little Jiffy to convert the coeff output from CNS
format into a XtalView phs file.  I have
turned off the
CNS map output in the script - the files it creates are HUGE!

The program is available, along with an example com file at

ftp://xray.utmb.edu/pub/PMB/ pmb_NCS2phs.I65
or
http://xray.utmb.edu/ under SOFTEWARE - DOWNLOADS

Good luck, please let me know if you find the program useful.

Mark

schitzo at nospam.rgiskard.bio.uci.edu wrote:

> We are trying to do phase extension on a structure with a lot
> of NCS symmetry (ie a virus). Looking over the example scripts
> in CNS we were unable to determine how to back calculate
> coefficients from an averaged map. Does anyone know if this is
> possible and how to do it?
>
> Thanks,
> Robert



--

Best Regards,

Mark

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Mark A. White, Ph.D.                                    Tel:
Sealy Center for Structural Biology                     (409) 747-4747
Dept. of Human Biological Chemistry & Genetics          Fax:
Basic Science Building, Room 6.660C                     (409) 747-4745
University of Texas Medical Branch
Galveston, TX 77555-0647                mailto://white@bloch.utmb.edu
http://xray.utmb.edu/                   http://www.hbcg.utmb.edu/xray
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