[ccp4bb] Postdoctoral Position - Harvard Medical School/Immune Disease Institute

2008-07-08 Thread Sun Hur
A post-doctoral position is available to study the molecular mechanism for self vs. non-self discrimination by the innate immune system. We use a combination of X-ray crystallography, biochemistry and computer simulation to characterize structures and functions of key host molecules that r

[ccp4bb] question on scalepack

2008-07-08 Thread Michael Colaneri
Dear colleagues, How do I get from scalepack the average I/sigma for the higher resolution shell? Mike Colaneri

[ccp4bb] post-doc position available at University of Texas Medical Branch

2008-07-08 Thread Kay Choi
A post-doctoral position is available in Dr. Choi laboratory at University of Texas Medical Branch (UTMB) at Galveston to study the structure and mechanism of virus infection. We use a combination of cryo-electron microscopy, X-ray crystallography, protein chemistry, and bioinformatics to dete

Re: [ccp4bb] Definition of Fourier coefficients

2008-07-08 Thread Garib Murshudov
it was there for some time. Info about this and some other new and not so new features can be found here: http://www.ysbl.york.ac.uk/~garib/refmac/data/refmac_news.html Some of the features like n mfo-l dfc map was there for 5.3 and may be even earlier. regards Garib On 8 Jul 2008, at

Re: [ccp4bb] Definition of Fourier coefficients

2008-07-08 Thread Meyer, Peter
Is this something new in refmac, or something undocumented (or am I looking in the wrong place by checking LABOUT)? -Original Message- From: CCP4 bulletin board on behalf of Kevin Cowtan Sent: Tue 7/8/2008 4:06 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] Definition of Fourier coe

Re: [ccp4bb] AW: [ccp4bb] DLS options?

2008-07-08 Thread Wojtek Rypniewski
We have been thinking of buying Malvern Zetasizer Nano. We were given a proper demonstration by the friendly Malvern staff, and it was satisfactory. I also had RiNA Spectroscatter 201 demonstrated to me and it seems a reasonable alternative to Malvern. I am just looking at the brochures and th

Re: [ccp4bb] DLS options?

2008-07-08 Thread David Briggs
I've used variations of the Malvern instrument at two positions now, and I have to say I've never had a problem with them. Yes, I believe it was designed to be a non-biological instrument, but I have to say it does a good job of DLS and SLS on proteins from 7-200KDa (in my experience) in a cuvette

[ccp4bb] DLS options?

2008-07-08 Thread Jacob Keller
Why not get an in-line, flow-cell LS detector for use with your chromatography system? We once had a great system, set up with a good SEC column, UV detection at three wavelengths on an akta, followed by SLS and DLS, and refractive index detector. The data were beautiful, as the SEC made the ba

[ccp4bb] AW: [ccp4bb] DLS options?

2008-07-08 Thread Gregor Witte
Hmmm... we had a demo of the Malvern Zetasizer instrument here, and to be honest: It did not convince us at all (it is obviously built for non-biological particle analysis) The Viscotek is also a plug&play device, every pc with a USB is suitable. ..in the end... Viscotek and Malvern are the

Re: [ccp4bb] DLS options?

2008-07-08 Thread Roger Rowlett
I'll second the recommendation for the Malvern Zetasizer. They are rock-simple and interface with a computer through USB which makes future computer upgrades relatively simple. The are however, not cheap--oops, inexpensive. Cheers, -- -

Re: [ccp4bb] Missing space group in ?.mtz file

2008-07-08 Thread Petr Kolenko
Dear colleagues, manual editing suggested by Martyn Winn worked and I can process the data further now. I was not able to process the file with readmtz, most probably because of my low experience with this. Thanks to all of you, for discussion and goodwill to help me. Best Regards, Petr Petr

[ccp4bb] small xtals even after streak seeding

2008-07-08 Thread amit sharma
Dear All, I had initially got some clusters of needles for one of my proteins. I then tried to streak seed them. However, I still seem to get quite a large number of nucleations, hence smaller xtals. I have tried streak seeding in in drops carrying additives such as ethanol, isopropanol, ethylene g

[ccp4bb] Summary: publishing low res structures

2008-07-08 Thread Jim Naismith
Dear All, Thanks to many of you who posted comments and suggestions. The review process concluded on our paper. I will try to distil the suggestions I found useful with some comments from my own experience. 1 Do not be put off by editor, argue for a technical review in advance of

Re: [ccp4bb] Missing space group in ?.mtz file

2008-07-08 Thread Stein, ND (Norman)
Dear Petr In your $CCP4/src/dev_tools_ directory there is a small utility named readmtz.cpp which I created for use in a situation like this. You will need to compile it by typing g++ -o readmtz readmtz.cpp Then type ./readmtz .mtz The data will be written out as an ascii file called output.tx

Re: [ccp4bb] Missing space group in ?.mtz file

2008-07-08 Thread Petr Kolenko
"env | grep SYMINFO" shows nothing. But there was a "Logical Name: SYMINFO Filename: /protein/ccp4-6.0.2/ccp4-6.0.2/lib/data/syminfo.lib" line in logfile of all runs. Is it what you mean? Petr Partha Chakrabarti wrote: what happens if you type: env | grep SYMINFO Does it show the path? Ei

Re: [ccp4bb] Missing space group in ?.mtz file

2008-07-08 Thread Martyn Winn
Dobre den, If all else fails, use a text editor! I use emacs for this ... Most of the file will look like garbage, but the header at the end of the file can be edited. Be very very careful not to change the number of characters just do replacements. Send the file to me if you want (and tell

Re: [ccp4bb] DLS options?

2008-07-08 Thread Andreas Förster
Hey Thomas, also consider Malvern instruments. Their Zetasizers are really sweet and work with volumes smaller than 15ul if you use the smallest cuvette. http://www.malvern.com/LabEng/products/zetasizer/zetasizer.htm The last DynaPro that I've used, half as old as the universe but equipped w

[ccp4bb] AW: [ccp4bb] DLS options?

2008-07-08 Thread Gregor Witte
Hi Ed, We are using a Viscotek DLS902. It seems to be robust against all types of user- and sample-unfriendliness…. So we’re quite happy at the moment. The advantage of the system is, that you can use standard cuvettes e.g. fluorescence 3-window-cuvettes from Hellma with standard window heights.

Re: [ccp4bb] Truncated protein structure

2008-07-08 Thread junfeng liu
Hi ,Haitao , If I were you ,the first thing I will do is to check xtal using MS and N-terminal sequencing to know what it is . These need to be done anyway. At the same time ,try to use the ways describe by other people to handle the data and search for solution using truncated model without

Re: [ccp4bb] Missing space group in ?.mtz file

2008-07-08 Thread Partha Chakrabarti
what happens if you type: env | grep SYMINFO Does it show the path? Either Solve or CCP4? On Tue, Jul 8, 2008 at 10:15 AM, Petr Kolenko <[EMAIL PROTECTED]> wrote: > Unfortunately, it also failed: > > Failed to find spacegroup in SYMINFO! > MTZTONA4: Fatal error in ccp4spg_register_by_symops > >

[ccp4bb] DLS options?

2008-07-08 Thread Thomas Edwards
Dear BB, Sorry for the off topic question: I would like to buy a Dynamic Light Scattering system. Could people suggest which they like the best and/or which is best value? I have in the past used a Protein Solutions Dyna Pro with micro cuvette (I would like a micro cuvette option).

Re: [ccp4bb] Missing space group in ?.mtz file

2008-07-08 Thread Petr Kolenko
Unfortunately, it also failed: Failed to find spacegroup in SYMINFO! MTZTONA4: Fatal error in ccp4spg_register_by_symops Does anybody know how to fix it? Petr

Re: [ccp4bb] coot 0.4.1 on ubuntu 8.04

2008-07-08 Thread Kevin Cowtan
Hi! The interesting thing is that it works on other systems. So there is something odd about your ubuntu system. Ah - maybe I have it. You are from Switzerland? What is your locale set to? Could the commas in the symops be being interpreted as decimal points? Does it make a difference if yo

Re: [ccp4bb] Missing space group in ?.mtz file

2008-07-08 Thread Eleanor Dodson
When all else fails you can dump the file as an ASCII format using mtztona4, edit that file to correct the spacegroup and reconvert it to mtz using na4tomtz. Eleanor Petr Kolenko wrote: Dear colleagues, I have a ?.mtz file from integration with missing info about the space group in the SYMINF

Re: [ccp4bb] Definition of Fourier coefficients

2008-07-08 Thread Kevin Cowtan
Yup, refmac too. Pavel Afonine wrote: Not sure for other software, but in phenix.refine you can request to output I*mFo-J*DFc map, where I and J are any user specified values. Pavel. On 7/7/2008 6:00 PM, Meyer, Peter wrote: It is redundant, but it adds an additional step if someone wanted to

[ccp4bb] Missing space group in ?.mtz file

2008-07-08 Thread Petr Kolenko
Dear colleagues, I have a ?.mtz file from integration with missing info about the space group in the SYMINFO. I tried to modify the file with combat and mtzutils, but it always ends up in reading the original file with this message: Failed to find spacegroup in SYMINFO! MTZUTILS: Fatal error

Re: [ccp4bb] Truncated protein structure

2008-07-08 Thread Eleanor Dodson
If the structure factors are available for the original protein you can use ALMN to check if there is an agreement between the two data sets. (Very old technology but a useful trick) Other things to check - Does the crystallographic 2fold in P43212 generate a tight dimer? is there a non-crys

[ccp4bb] Summary: Refmac unrestrained refinement on ligands only

2008-07-08 Thread Matthew BOWLER
Dear All, many thanks for all the replies. I have gone with the most suggested option which was to loosen the sigmas in the dictionary file: this has worked very well. Other options were to refine in SHELXL (although George Shedrick cautioned against this - see below) or phenix.refine.

[ccp4bb] dna-rna restraints in CNS

2008-07-08 Thread Panne Daniel
Florian, You can use additional planarity restraints for individual base pairs for low resolution refinement. Easiest way to do this is to define explicitly individual base pairs and use appropriate weights. You can include the definitions in the 'dna-rna_restraints.def' file after the '