Is anyone interested in acquiring a home X-ray source system including a Rigaku
generator, Haskris water cooler and pump, Haskris cryogenic cooler, MSC
X-stream crystal cooler, RAXIS IV detector, OSMIC mirrors, etc? The system has
not been used in some time but all worked well previously. We
Dear Evgenii,
The dimple --anode option uses AnoDe [1, 2] to calculate the anomalous
difference maps, so the anomalous map phases are in the output file anode.pha,
not in final.mtz, which is generated by refmac. You can run the script
anom-coot.sh to view the difference map in coot, or
Dear all
OK I lied it wasn't the last reminder.
We would like to let you all know that the registrations for the 55th Course of
the International School of Crystallography (Structural Drug Design) to be held
in the beautiful town of Erice (Italy) May 29 - June 6, 2020
Dear Evgenii,
it indeed makes sense to (optionally) use F+/- for refinement, but it
just hasn't been requested before and I didn't think about it myself.
I'm opening a ticket to not forget about it:
https://github.com/ccp4/dimple/issues/13
and I'll get back to it later.
Best wishes,
Marcin
On
Dear Richard,
yes, it has I(+)/I(-) and corresponding sigmas. I tried the command you've
specified - final mtz still contains only "normal" maps but now I see
anomalous phases in anode.pha
In order to get difference anomalous maps I still have to run refmac5 with
LABIN F+=F(+) SIGF+=SIGF(+)
Hi Everyone,
NMR Facility Manager position will be available at King's College London
from May 2020. Please find details in the attached file.
Kind regards
Caterina
*Caterina Alfano, Ph.D.*
Group Leader
Biophysical Screening and Structural
Dear Evgenii,
Does your input mtz file contain I(+)/I(-) and SIGI(+)/SIGI(-) columns? Dimple
runs shelxc to obtain the input reflection file for anode, which requires
anomalous intensities as input.
I.e. it essentially runs the following commands:
$ mtz2sca AUTOMATIC_DEFAULT_free.mtz
Regarding X-ray Powder Diffraction software
http://www.ccp14.ac.uk/
Regarding search match procedures and databases there are several
https://www.ccdc.cam.ac.uk/solutions/csd-system/components/csd/
http://www.icdd.com/?gclid=EAIaIQobChMI1NGPpIOZ5gIVhkPTCh3E4gcyEAAYASAAEgIQhPD_BwE
Dear CCP4 community,
I can't figure out how to tell Dimple to use F(+)/F(-) columns and search
for anomalous peaks.
I was trying to run dimple in the next form:
dimple -R free.mtz --anode --fcolumn F output.mtz test.pdb dimple_dir
In the output mtz I get only 2Fo-Fc and Fo-Fc maps. When I try to
