[ccp4bb] Coot's hidden talents!

2013-01-11 Thread Harry Powell
Hi Just noticed this - http://www.bbc.co.uk/news/uk-20978904 do we know the artist? He has just moved to Cambridge... Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH Chairman of European Crystallographic Association SIG9

Re: [ccp4bb] Symmetry operator

2013-01-11 Thread Eleanor Dodson
I am afraid now I just use PISA at the EBI to answer this sort of question . It tells you the answer with lots of other useful information as well, and then you can use your intelligence to see why that operator is the correct one! Eleanor On 11 Jan 2013, at 01:05, James Stroud wrote: The

[ccp4bb] EMBO practical course on Computational Structural Biology - from data to structure to function, EMBL Hamburg, 15-19 April 2013

2013-01-11 Thread margret
Dear colleagues, We are pleased to announce the upcoming EMBO practical course on Computational Structural Biology - from data to structure to function EMBL Hamburg, Germany 15th - 19th April 2013 The course covers computational aspects of protein structure determination, validation and

Re: [ccp4bb] Coot's hidden talents!

2013-01-11 Thread Mark J van Raaij
if you zoom in 10exp9-10exp10 times (lots of cmd-+ in macosx), you can see the amino acids. tried to check the accuracy; however, I couldn't find the mtz file to display the density...does this journal not enforce depositing the data? Mark J van Raaij Laboratorio M-4 Dpto de Estructura de

Re: [ccp4bb] Coot's hidden talents!

2013-01-11 Thread Derek Logan
To be honest I preferred this more homespun work: http://www.guardian.co.uk/science/gallery/2013/jan/10/research-as-art-competition-in-pictures?INTCMP=SRCH#/?picture=402066318index=3 Somewhat reminiscent of Byron's Bender models: http://www.umass.edu/microbio/rasmol/history.htm#bender /Derek

Re: [ccp4bb] Coot's hidden talents!

2013-01-11 Thread Johan Turkenburg
Friday afternoon Good time to look at some artistic representations of protein molecules. This is pretty amazing: http://www.julianvossandreae.com/ Johan On 11 January 2013 14:26, Derek Logan derek.lo...@biochemistry.lu.se wrote: To be honest I preferred this more homespun work:

Re: [ccp4bb] Coot's hidden talents!

2013-01-11 Thread Bosch, Juergen
Surprised Mercedes didn't sued him for that :-) @Mr. Emsley I assume you soon will be Sir Emsley after that marvelous painting.mentioned in Harry's email. Jürgen .. Jürgen Bosch Johns Hopkins University Bloomberg School of Public Health Department of Biochemistry Molecular

Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-11 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Pat, for several versions adxv has been able to save as tif, although (maybe) not from the GUI. If you type 'adxv -?' you get the instruction manual including the '-sa' option which converts to some tiff file. Buy the whey, tiff is not an image

Re: [ccp4bb] Fwd: Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-11 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Nat! How recent is recent? From today's 'phenix-online.org': New Phenix version 1.8.1 now available, but tg@slartibartfast:~/uni/datasets/nk/xds_run3$ labelit.png_1.8.1-1168 DX-CORRECTIONS.cbf Traceback (most recent call last): File

Re: [ccp4bb] Fwd: Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-11 Thread Frank von Delft
I got that error blurb too when I run without an image on the commandline. Not very elegant. Try: labelit.png --help On 11/01/2013 16:34, Tim Gruene wrote: -BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Nat! How recent is recent? From today's 'phenix-online.org': New Phenix version

Re: [ccp4bb] Fwd: Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-11 Thread Nat Echols
I think the help message refers to another program. Anyway, it's an extremely simple script - having examined the code, the command-line invocation is: labelit.png input_file [output_file] and that's it - no other options available. But Nick or I will fix it so it prints something more useful

Re: [ccp4bb] Fwd: Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-11 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 The formatting of icedove probably created confusion, but these error message come from running labelit.png WITH the file DX-CORRECTIONS.cbf as one and only command line option and no output is created. adxv has not problem dealing with XDS cbf-files.

Re: [ccp4bb] Fwd: Re: [ccp4bb] Convert cbf to png/tiff?

2013-01-11 Thread Nicholas Sauter
Normally the input files for Labelit must have sequential numbering like lysozyme_001.cbf. The file name DX-CORRECTIONS.cbf causes the reported error as it does not conform to this format. Nick On Fri, Jan 11, 2013 at 9:51 AM, Tim Gruene t...@shelx.uni-ac.gwdg.de wrote: -BEGIN PGP SIGNED

[ccp4bb] Junior research position in Structural Biology

2013-01-11 Thread ppereira
***NB: Posted on behalf of Dr. Macedo-Ribeiro, whom you should contact for further information (e-mail address below).*** The Associate Laboratory IBMC-INEB is recruiting a highly motivated researcher to integrate a multidisciplinary team in the field of the Biochemistry and Structural

[ccp4bb] a challenge

2013-01-11 Thread James Holton
I have a challenge for all those expert model-builders out there: can you beat the machine? It seems these days that everything is automated, and the only decision left for a crystallographer to make is which automation package to use. But has crystallography really been solved? Is looking

[ccp4bb] CCP4 Update 013

2013-01-11 Thread eugene . krissinel
Dear CCP4 Users, A CCP4 update has just been released, consisting of the following changes: All systems: * molrep: Significantly more accurate packing function implemented * pisa: Now reports on monomeric properties ina no-complex situations * JLigand: Compounds derived from smile

Re: [ccp4bb] a challenge

2013-01-11 Thread Terwilliger, Thomas C
Hi James, As an aside (as your point is looking for a John Henry, not investigating automated model-building) I would point out that it is not uncommon at all to find cases where a very small difference in starting parameters or starting phases leads to a very different final result in