Re: [ccp4bb] Rigaku R-axis IIC X-ray diffraction system

2012-04-14 Thread Jim Pflugrath
The first Rigaku R-AXIS IIC in North America were installed in late 1990 at Yale University and McMaster University. That's the same year the Hubble Telescope went into space and the first search engine Archie was released. The last R-AXIS IIC shipped in 1994. So these are really vintage syste

Re: [ccp4bb] Anybody knows why SSRL is unaccessible ?

2012-04-14 Thread Richard Gildea
They were hit by a lightning strike on Thursday evening which took out their power: https://slacportal.slac.stanford.edu/sites/esh/emergency/Pages/default.aspx Cheers, Richard On Apr 14, 2012 9:28 AM, "Bosch, Juergen" wrote: > neither the websites nor ssh works to any of the machines. > Did th

Re: [ccp4bb] Anybody knows why SSRL is unaccessible ?

2012-04-14 Thread Bosch, Juergen
I guess I must have missed this, glad we collected our data yesterday at ALS (shameless advertisement). Hopefully things will be restored soon though. Jürgen On Apr 14, 2012, at 12:33 PM, Richard Gildea wrote: They were hit by a lightning strike on Thursday evening which took out their power:

[ccp4bb] Anybody knows why SSRL is unaccessible ?

2012-04-14 Thread Bosch, Juergen
neither the websites nor ssh works to any of the machines. Did they fall into a black hole ? e.g. http://www-ssrl.slac.stanford.edu Jürgen .. Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry & Molecular Biology Johns Hopkins Ma

Re: [ccp4bb] [cnsbb] MTZ label

2012-04-14 Thread Edward A. Berry
Dear Sunil, I think you can do this with the ccp4i gui- In the category "Reflection Data Utilities" select "Edit mtz file (sftools)" One of the panels is "Change column labels and types" with options to edit labels or add new label. But Surprise, there are no labels in the list! This is because t

Re: [ccp4bb] wwPDB and CCDC

2012-04-14 Thread Eleanor Dodson
A jolly good thing - congratulations and thanks to the instigators... Eleanor On 13 April 2012 15:40, Gerard DVD Kleywegt wrote: > Hi Paul, > > You saw the wwPDB/CCDC JPG in my PPT at GSK :-) > > Yes, wwPDB and CCDC have signed an MoU. In pounds and pennies it means, > amongst a number of other

Re: [ccp4bb] Disorder or poor phases?

2012-04-14 Thread Eleanor Dodson
Nothing profound to add to this interesting discussion, but I too would like to plug FobsA - FobsB type maps - when A and B are similar but not quite the same.. It is prudent to omit the interesting parts of model A (or B) - whichever you use to calculate the PHIC and FOM - but the peaks and pits

Re: [ccp4bb] Good way to check ion sites on Coot

2012-04-14 Thread Eleanor Dodson
And Marjorie Hardings results are nicely tabulated on a web site.. Google for it Eleanor On 13 April 2012 22:08, Marc Kvansakul wrote: > Hi Andre, > > Majorie Harding wrote a few nice papers on metal ion binding sites and > their associated coordination geometry, examples are: > > Harding MM

Re: [ccp4bb] Coot chain ID

2012-04-14 Thread Eleanor Dodson
Edit, or use coot to reorder chains If you read that edited pdb into pdbset pdbset xyzin edited.pdb xyzout edited-and-renumbered.pdb end I think the renumbering happens automatically.. Eleanor On 14 April 2012 09:46, Bernhard Lechtenberg wrote: > In Coot you can use > > Extensions -> Modelli

Re: [ccp4bb] Coot chain ID

2012-04-14 Thread Bernhard Lechtenberg
In Coot you can use Extensions -> Modelling -> Reorder Chains Bernahrd -- Bernhard Lechtenberg PhD student Huntington lab University of Cambridge Department of Haematology Cambridge Institute for Medical Research Wellcome Trust/MRC Building, Hills Road Cambridge, CB2 0XY United Kingdom -Or

Re: [ccp4bb] Coot chain ID

2012-04-14 Thread Antony Oliver
Dipankar, A little bit of cut-and-paste in a good text editor will sort that out fairly easily. Tony. Sent from my iPhone On 14 Apr 2012, at 07:54, "Dipankar Manna" mailto:dipanka...@aurigene.com>> wrote: Dear All, I fitted a ligand into a structure along with SO4 and waters (COOT). Then I