Hi,
I was looking recently for weak anomalous scatterers, when refined model
is known.
I used phaser as described here:
http://www.phenix-online.org/pipermail/phenixbb/2008-July/001136.html
or running phaser from the ccp4 gui SAD with molecular replacement
partial structure
Works very well,
Hi,
We should probably clarify the documentation on this point. When you
complete the anomalous substructure in Phaser, it's an iterative
process where LLG maps are computed looking for places where anomalous
scattering should be added (or subtracted). New sites are introduced,
and
Hi Randy,
thanks a lot! That explains everything.
best regards,
guenter
Hi,
We should probably clarify the documentation on this point. When you
complete the anomalous substructure in Phaser, it's an iterative
process where LLG maps are computed looking for places where anomalous
scattering
Well - doing an mtzdump on testXXX.mtz shows most of the DANO are missing..
and also most of the F_gp5-gp27(+)_nat so the problem is farther back..
OVERALL FILE STATISTICS for resolution range 0.000 - 0.119
===
Col SortMinMaxNum % Mean Mean
to the original poster: please do not attache several MB files...
Tommi
On Oct 27, 2009, at 11:24 AM, Eleanor Dodson wrote:
Well - doing an mtzdump on testXXX.mtz shows most of the DANO are
missing..
and also most of the F_gp5-gp27(+)_nat so the problem is farther
back..
OVERALL FILE
This should do:
cad hklin1 original.mtz hklin2 refined.mtz hklout Fp_phase.mtz EOF_CAD
LABIN FILE 1 E1=DANO
LABIN FILE 2 E1=PHWT E2=FOM
END
EOF_CAD
fft hklin Fp_phase.mtz mapout anom_diff.map EOF-map
LABIN DANO=DANO PHI=PHWT W=FOM
END
EOF-map
Thanks
Abhinav
Stanford Synchrotron Radiation
Hi,
you can try it in PHENIX:
- phenix.refine outputs such map by default (if input data file contains
Fobs+ and Fobs-);
- you can use a Create Maps option from main PHENIX GUI.
Pavel.
On 10/26/09 11:10 AM, Sergii Buth wrote:
Hello everybody!
I am faced with a problem of calculating an
You can also get anomalous maps from Refmac, just input F+ and F- and ANOM
MAPO keyword. See
http://www.ccp4.ac.uk/dist/html/refmac5/bugs_and_features.html for more
information if needed.
Pavol
