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Hi Daniel;
Maybe you want to try to perform the refinement of Se and the phase
computation using either SHARP or PHASER which will anyway give you
better HL coefficients than MLPHARE Then you'll get much better
density after solvent flatten
7;t
refine it), and fit the rest.
Good luck-
Steve
-Original Message-
From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of
Daniel Adams
Sent: Friday, January 19, 2007 11:36 AM
To: [EMAIL PROTECTED]
Subject: mlphare for SAD data
Hi everyone
I am trying to refine Se sites (o
Hi everyone
I am trying to refine Se sites (obtained by SHELXD) using Mlphare
programme. The dataset is SAD dataset, space group is P1. When I try to
refine 'xyz and alternate OCC and B values' with following script:
title [No title given]
labin FP=F SIGFP=SIGF
FPH1=F SIGFPH1=SIGF
DPH1=DANO
