The position:
A protein crystallography postdoctoral position is available
immediately in the lab of Jenny Martin, at the Institute for Molecular
Bioscience at the University of Queensland in Brisbane, Australia.
Research will include fragment-screening and co-crystallisation of
proteins wit
I've struggled with getting CCP4 to calculate Fo-Fo maps, since I
usually use other software. The tricks are that the data sets have
to be scaled to each other in reciprocal space, and the maps calculated
with the same cell constants (which will be a lie for at least one of
them). The procedur
Hi Lucas,
phenix.fobs_minus_fobs_map
might work for you. Example:
phenix.fobs_minus_fobs_map f_obs_1_file=data1.mtz f_obs_2_file=data2.sca
f_obs_1_label=FOBS1 f_obs_2_label=FOBS2 model.pdb
where model.pdb is used as a source of phases for your map.
To be honest, I forgot how strictly I requ
Hi Everyone,
I've checked the previous posts about how to generate the difference
map from two crystals with different cell constants. I tried MAPMAN to
generate this map but I never got luck on this. It turned out to show
"Maps have different cell constants" every time. Does anyone know wh
Here's how we do it. (May not be the most elegant,
but simple enough for my undergraduates to manage.)
http://capsicum.colgate.edu/chwiki/tiki-index.php?page=Model+Refinement#Restraining_metal_ligand_distances_during_refinement_in_REFMAC
Cheers, Roger Rowlett
On 5/3/2010 2:25 PM, hari jayara
Hi
Am trying to build coordinated Zn+2 by CYS -SG atoms and have it
refine properly in refmac5.5
I added ZN ions in Coot at the Fo-Fc peaks. Then I defined manually
the coordination relations in a text editor using LINK records.
the ions were placed in the same chain that was doing the coordinati
Many thanks for all answers, it is greatly appreciated.
Best wishes,
Thomas
On Thu, Apr 29, 2010 at 09:50, Ian Tickle wrote:
> On Thu, Apr 29, 2010 at 4:25 PM, Edward A. Berry wrote:
>> Command-line param like XYZIN don't seem to be shell variables,
>> but can be set by variables:
>>
>> bin/nco
Another software to use is Theseus, which does very good maximum
likelihood superpositions, and you can get the PCA for free, same as
CA rmsd lists, the NxN matrix with differences, an "average" model
with pseudo-B-factors, etc. Personally I use Rapido/ESCET and Theseus,
depending on the qu
