On Fri, Jun 4, 2010 at 2:28 AM, zhan...@umbc.edu wrote:
I was using ccp4-6.0.2. I was using the following scripts:
sigmaa HKLIN test.mtz HKLOUT test-sigmaa.mtz eof
title tt
labin FP=FP SIGFP=SIGFP FC=FP_atm PHIC=PHIC
labout DELFWT=DELFWT FWT=FWT WCMB=WCMB
symmetry P1211
Hi,
I believe there used to be a constraint stopping refined SigmaA values from
going negative, so I'm not sure how this is happening.
The basic problem here is that the correlation between Fo and Fc must be very
close to zero, so that the refined SigmaA values go to zero (or should, in the
Hi Hailiang,
My original ISAS program has been incorporated in the SGXPro program
suite (Fu, Rose and Wang, 2005, Acta Cryst. D61, 951) and is currently
used with other phasing programs in SGXPro at SER-CAT. You may find
the description on the use of SGXPro by accessing the SER-CAT
Oh dear - I havent used SIGMAA for a long time .
If you use REFMAC to calculate your SFs then it generates FC PHIC and
FOM in the output. That is the easiset approach to getting started..
Isnt there a GUI task to do just this?
Eleanor
Hailiang Zhang wrote:
Hi,
I wanted to do solvent
One or two more comments.
There is a later paper by Andrew Leslie showing that the WANG real space
averaging can be carried out very simply and much faster in reciprocal
space - and this is the method used by all subsequent programs.
density modification using calculated phases is somewhat
I'm not quite clear what your aim is here, but if you want to reproduce
Wan'g method exactly, DM can't do it as it has a whole lot of more
recent stuff built in (gamma correction, masking algorithms etc).
If you really want to implement Wang's method (and I'm not sure quite
why you would,
On Wed, Jun 2, 2010 at 8:04 PM, Hailiang Zhang zhan...@umbc.edu wrote:
sigmaa HKLIN in.mtz HKLOUT out-sigmaa.mtz eof
title tt
labin FP=FP SIGFP=SIGFP FC=FC PHIC=PHIC
labout DELFWT=DELFWT FWT=FWT WCMB=WCMB
symmetry $spcgrp
END
eof
#
I think the
Hi,
I wanted to do solvent flattening for my map using Wang's method. I used
CCP4-DM, and now have several questions:
1. DM seems requiring the FOM, so I generated FOM using SIGMAA by
providing FP, FC and SIFFP using the following:
sigmaa HKLIN in.mtz HKLOUT
Subject: [ccp4bb] About solvent flattening
To: CCP4BB@JISCMAIL.AC.UK
Date: Wednesday, June 2, 2010, 3:04 PM
Hi,
I wanted to do solvent flattening for my map using Wang's
method. I used
CCP4-DM, and now have several questions:
1. DM seems requiring the FOM, so I generated FOM using
