Single Atom Molecular Replacement - Revision history

Airlie at 15:01, 20 November 2014

2014-11-20T15:01:52Z

Airlie at 14:59, 11 November 2014

2014-11-11T14:59:41Z

Airlie: moved Single Atom MR to Single Atom Molecular Replacement

2014-11-11T14:44:35Z

moved Single Atom MR to Single Atom Molecular Replacement

Airlie: Created page with '
TOC
Single Atom Molecular Replacement (SAMR) with Phaser combines the MR and SAD phasing modes to solve high resolution s…'

2014-11-11T14:42:23Z

Created page with '<div style="margin-left: 25px; float: right;">__TOC__</div> Single Atom Molecular Replacement (SAMR) with Phaser combines the MR and SAD phasing modes to solve high resolution s…'

New page

<div style="margin-left: 25px; float: right;">__TOC__</div>

Single Atom Molecular Replacement (SAMR) with Phaser combines the MR and SAD phasing modes to solve high resolution structures. Firstly, single atoms are used for MR in the MR_AUTO mode. Then log-likelihood gradient completion is performed with EP_AUTO. The anomalous differences are not used in this step, only the mean structure factors. These two functionalities are wrapped in the MR_ATOM mode of phaser.

SAMR is called from the phaser executable with the MR_ATOM mode

:; MODE MR_ATOM

SAMR is called from the python interface with the runMR_ATOM function

ResultEP r = runMR_ATOM(i=InputMR_ATOM)

← Older revision		Revision as of 14:59, 11 November 2014
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	ResultEP r = runMR_ATOM(i=InputMR_ATOM)		ResultEP r = runMR_ATOM(i=InputMR_ATOM)
		+
		+
		+	The first part of the algorithm is to find the heaviest atoms by MR. Enter a standard MR_AUTO script with the number of search atoms set to the number of atoms of your heaviest atom type.
		+
		+	MODE MR_ATOM
		+	HKLIN tryparedoxin_peak_withfc.mtz
		+	LABIN F(+)=F_peak(+) SIGF(+)=SIGF_peak(+) F(-)=F_peak(-) SIGF(-)=SIGF_peak(-)
		+	WAVELENGTH 0.98
		+	ENSEMBLE atom ATOM SE
		+	SEARCH ENSEMBLE atom NUM 10
		+	COMPOSITION PROTEIN SEQ tryparedoxin.seq NUMBER 1
		+	LLGC COMPLETE ON
		+	LLGC ELEMENT N

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 <div style="margin-left: 25px; float: right;">__TOC__</div>
-Single Atom Molecular Replacement (SAMR) with Phaser combines the MR and SAD phasing modes to solve high resolution structures. Firstly, single atoms are used for MR in the MR_AUTO mode. Then log-likelihood gradient completion is performed with EP_AUTO. The anomalous differences are not used in this step, only the mean structure factors. These two functionalities are wrapped in the MR_ATOM mode of phaser.
+Single Atom Molecular Replacement (MODE MR_ATOM) with Phaser combines the MR and SAD phasing modes to solve high resolution structures. Firstly, single atoms are used for MR in the MR_AUTO mode. Then log-likelihood gradient completion is performed with EP_AUTO. The anomalous differences are not used in this step, only the mean structure factors. These two functionalities are wrapped in the MR_ATOM mode of phaser.
 SAMR is called from the phaser executable with the MR_ATOM mode

← Older revision	Revision as of 14:44, 11 November 2014
(No difference)

Single Atom Molecular Replacement - Revision history

Airlie at 15:01, 20 November 2014

Airlie at 14:59, 11 November 2014

Airlie: moved Single Atom MR to Single Atom Molecular Replacement

Airlie: Created page with '__TOC__ Single Atom Molecular Replacement (SAMR) with Phaser combines the MR and SAD phasing modes to solve high resolution s…'

Airlie: Created page with '
TOC
Single Atom Molecular Replacement (SAMR) with Phaser combines the MR and SAD phasing modes to solve high resolution s…'