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FINDNCS : a program to detect non‐crystallographic symmetries in protein crystals from heavy‐atom sites
Author(s) -
Lu Guoguang
Publication year - 1999
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889898015052
Subject(s) - translation (biology) , atom (system on chip) , rotation (mathematics) , crystallography , symmetry (geometry) , homogeneous space , computer graphics , computer program , computer science , physics , chemistry , mathematics , geometry , computer graphics (images) , artificial intelligence , biochemistry , messenger rna , gene , embedded system , operating system
In order to facilitate applications of averaging techniques in the MIR/MAD procedure, a program, FINDNCS , which automatically identifies non‐crystallographic symmetry (NCS) from heavy‐atom sites, has been developed. The program outputs the NCS operations (a rotation matrix and a translation vector), the corresponding root‐mean‐square (r.m.s.) deviations of heavy‐atom sites, polar angles and screw translations, and writes coordinates of matching sites in Protein Data Bank (PDB) format. The program has an interface with the graphics program O [Jones et al . (1991). Acta Cryst. A 47 , 110–119] so that the NCS operations can be displayed automatically. In the test examples, all the correct NCS operations were identified and were above the noise solutions.