構造解析プログラム一覧
* EPMR [#t81692fe]
#classdiv(spec)
|~最新版 |8.10 / 2008年10月28日 |
|~対応OS |Linux, MacOS, Microsoft Windows|
|~種別 |Molecular replacement |
|~公式サイト|http://www.epmr.info/ |
#classdiv(end)
EPMRユーザーガイドによると、
> EPMR is a general-purpose molecular replacement program. Unlike most molecular replacement programs, it does not divide the problem into separate rotation and translation searches. Instead, it uses an evolutionary search algorithm to simultaneously optimize the orientation and position of a search model (1,2). The program operates as follows:
- An initial set of random solutions (random orientations and positions for the search model) is generated.
- The correlation coefficient is calculated for each trial solution.
- A fraction of the highest scoring solutions are retained and used to regenerate a complete set of new trial solutions. This is done by applying random alterations to the orientation angles and translations for each “surviving” solution.
- The correlation coefficients for the new population are calculated, the population is again regenerated from the top scoring solutions, and this procedure is repeated for a specified number of cycles.
ってことらしいです。
** 関連ページ [#l160115a]
- インストール
- [[使い方>EPMRを使ってみよう]]
** 引用文献 [#k074f157]
(PubMedのSummary形式がいいかな)
Emsley P, Cowtan K.~
Coot: model-building tools for molecular graphics.~
Acta Crystallogr D Biol Crystallogr. 2004 Dec;60(Pt 12 Pt 1):2126-32. Epub 2004 Nov 26.
- Kissinger CR, Gehlhaar DK & Fogel DB.~
Rapid automated molecular replacement by evolutionary search.~
Acta Crystallographica, D55, 484-491 (1999).
- Kissinger CR, Smith BA, Gehlhaar DK & Bouzida D.~
Molecular replacement by evolutionary search.~
Acta Crystallographica, D57, 1474-1479 (2001).
- Huber R. & Schneider M.~
A group refinement procedure in protein crystallography using Fourier transforms.~
J. Appl. Cryst. 18, 165-169 (1985).
** 外部リンク [#v91c5eb0]
- 公式サイト -- http://www.epmr.info/
