Re: [ccp4bb] buster-tnt on OSX ?

2008-10-27 Thread Clemens Vonrhein
Dear Bill,, On Sun, Oct 26, 2008 at 07:18:05PM -0700, William G. Scott wrote: I'm actually one of those whom has struggled unsuccessfully to install Sharp. I can't even remember why, and I am certain it was entirely my fault, but this did get me wondering... I guess this is often a more

Re: [ccp4bb] poor density after phase extension

2008-10-27 Thread Clemens Vonrhein
Dear Joe, On Mon, Oct 27, 2008 at 06:04:38AM +, joe wrote: Hi, all: I have a poor density after phase extension problem. Usually I use HKL2000 to scale the data and use the macro at the integrate and scale steps. I got a good native data( P6422 130 130 150 , 90 90 120) at 3.0A

Re: [ccp4bb] buster-tnt on OSX ?

2008-10-27 Thread Phil Evans
I would like to add my comments that Sharp autoSharp are great programs that produce excellent phases, and that installation isn't too hard (even though the whole setup does seem unnecessarily complicated :-) ) I would also like to say that the Global Phasing people, in particular

Re: [ccp4bb] buster-tnt on OSX ?

2008-10-27 Thread James Stroud
Yikes! Apologies if that was over the top. I guess the chisanbop comment did not properly convey the hyperbole, and hence humor, I was trying to achieve. Hopefully my comments can still be taken as the constructive criticism they were intended to be. James On Oct 26, 2008, at 4:57 PM,

Re: [ccp4bb] installing Phaser EP

2008-10-27 Thread Winn, MD (Martyn)
Well, in case of installation difficulties, you can always contact the friendly and helpful staff at [EMAIL PROTECTED] . ;-) Unfortunately, our friendly and helpful Mac expert is away at the moment, but I can try to help. If you follow through to the Mac download page, you have a few choices.

[ccp4bb] Invisible but intact disulphides?

2008-10-27 Thread Derek Logan
Hello everyone, We are working on a protein in which a long loop is held in place by a disulphide bond. All the biochemistry and biophysics of this protein indicates that the disulphide bond should be intact, but we only see one end of it in the crystal structure. The protein has not been

Re: [ccp4bb] Invisible but intact disulphides?

2008-10-27 Thread David Briggs
Fox GC, Shafiq M, Briggs DC, Knowles PP, Collister M, Didmon MJ, Makrantoni V, Dickinson RJ, Hanrahan S, Totty N, Stark MJ, Keyse SM, McDonald NQ. Abstract Redox-mediated substrate recognition by Sdp1 defines a new group of tyrosine phosphatases. Nature. 2007 May 24;447(7143):487-92. Epub 2007 May

Re: [ccp4bb] buster-tnt on OSX ?

2008-10-27 Thread Gerard Bricogne
Dear Jacques-Philippe, Sorry to have been distracted into responding to comments on your question rather than answering your question itself. We will shortly be announcing an academic release of a new version of BUSTER-TNT, which contains several major improvements over the previous

Re: [ccp4bb] buster-tnt on OSX ?

2008-10-27 Thread Warren DeLano
James, If I may chime in here, as the head of a similar effort half as old and one quarter the size of Global Phasing... We scientists heading up private crystallography related software efforts tend to be hypersensitive to such criticisms because of certain unfortunate past behaviors of

Re: [ccp4bb] buster-tnt on OSX ?

2008-10-27 Thread Juergen Bosch
@all, we've been comparing various programs during our SGPP times (that was about 2 years ago) Sharp, Shelx, bp3, mlphare, SnB (BnP). If I remember it correctly at that time Sharp was the winner, although the site finding was the major bottleneck/problem. What we ended doing was finding

[ccp4bb] OXION Postdoc fellowships and DPhil/PhD studentships

2008-10-27 Thread A. Radu Aricescu
OXION is a research initiative grouping 25 UK laboratories based in Oxford, Cambridge and London and aimed at structural and functional characterisation of ion channels (http://oxion.dpag.ox.ac.uk/). Two training fellowships (at the junior or senior postdoctoral level, application deadline:

[ccp4bb] H32 use

2008-10-27 Thread Bernhard Rupp
Dear All, I wonder whether it is a good idea to still accept H32 as a space group in the PDB CRYST1 record, despite it may be used internally by programs. * The combination of hexagonal cell parameters and R32 clearly indicates a hexagonal (obverse) axis setting in the R centered cell. * The

Re: [ccp4bb] Is it possible to predict the kinase when knowing a phosphorylated substrate sequence?

2008-10-27 Thread Artem Evdokimov
Tiancen, While not entirely impossible - this is a formidable task. The answer to your quesiton depends on the specifics of your situation and on what additional information you are able to procure. Quite a few kinases have specific sites; equal or greater numbers are only partially specific

Re: [ccp4bb] H32 use

2008-10-27 Thread Ian Tickle
In fact there's another good reason not to use H3 etc when you mean R3: the H lattice symbol is already in use to mean something completely different! - namely H-centring in *trigonal hexagonal* (i.e. *not rhombohedral*) space groups such as P3, P3/1 etc supergroups, so e.g. H3 is actually a

Re: [ccp4bb] H32 use

2008-10-27 Thread Bernhard Rupp
Good point. Btw, also these nonstandard, triple ab-plane centered H3x cells can be readily reindexed standard primitive, so no new space groups are needed...let's not give the PDB new ideas... BR -Original Message- From: CCP4 bulletin board [mailto:[EMAIL PROTECTED] On Behalf Of Ian

[ccp4bb] about the PEG molecules in crystals

2008-10-27 Thread Jiamu Du
Dear all, Are there some articles or reviews discussing about the PEG molecules in crystals or the biochemical features of PEG? Thanks. -- Jiamu Du, Ph.D. State Key Laboratory of Molecular Biology Institute of Biochemistry and Cell Biology Shanghai Institutes for Biological Sciences Chinese