FINDNCS: A program which finds out NCS from heavy atom sites

[Guoguang Lu]

Hi, everyone

Now it is possible to find out NCS operations from heavy atom sites 
automatically by the new program FINDNCS in order which can help
applying 
averaging technique in the MIR. The program outputs the NCS operations
(a 
rotation matrix and translation vector), RMS, polar angles and screw 
distance, matching sites and other useful information for users. 
Optinally, the program can also generate some files so that NCS 
operations can be displayed by the O program automatically.

The program is designed for any space group. FTP of excutable code for
EC-alpha and SGI 5.x is available at
ftp://gamma.mbb.ki.se/pub/guoguang/findncs.tar.Z 

A preliminary version of FINDNCS document is at
http://gamma.mbb.ki.se/~guoguang/findncs.html

Test examples, comments and questions, and bug report are very welcome.

have fun

Guoguang

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Guoguang Lu, PhD, Research Scientist
Division of Molecular Structural Biology	
Department of Medical Biochemistry and Biophysics 
Doktorsringen 9A1
Karolinska Institute
17177 Stockholm
Sweden
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Phone: (int+46)-8-728 7651(o)   Email:    guoguang at alfa.mbb.ki.se
Fax:   (int+46)-8-327626   Homepage: http://gamma.mbb.ki.se/~guoguang
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