Re: [ccp4bb] small crystallisation incubator

2008-04-17 Thread mesters
Memmert? http://www.memmert.com/en/products/product-range/peltier-cooled-incubators/overview/ - J. - Michael Hothorn wrote: Dear all, sorry for the off-topic question. I am looking for an affordable+small crystallisation incubator (16-21 deg Celsius). Ideally, it would fit neatly under my

[ccp4bb] Postdoctoral positions available in Norwich, UK

2008-04-17 Thread Mark Banfield
Hi everyone, I'd like to bring to the attention of anyone looking for a postdoc position in structural biology that I currently have two vacancies in my lab., which is based in Norwich in the UK. These projects are focussed on structure/function studies of 'effector' proteins from microbial patho

[ccp4bb] SUMARY: Optimization of needle crystals

2008-04-17 Thread Ngo Duc Tri
Dear ccp4 Users, I would like to say thank you to all of your valuable advices to optimize the needle crystal and related problems when dealing with membrane protein. Here I report the summary of your advices to help other students who got the same problem: 1. Additive screening from Hampton Rese

Re: [ccp4bb] refmac5

2008-04-17 Thread Eleanor Dodson
You must be asking for a MAP to be calculated - see near the top of the GUI. click off this radio button and the warning should go away. Eleanor Chavas Leo wrote: Dear Sajid -- Thanks for your suggestions to run revise. Suggestions from Mike Latchem helped me to overcome the problem. I have

Re: [ccp4bb] refmac5

2008-04-17 Thread Nicholas Keep
I think you get this problem whether or not you have selected to write a map. I find that you need to open up the dialogue for maps set to temp.map and temp1.map and then the gui remembers that going forward whether or not you deselect the option to generate a map. It also means you cannot ru

Re: [ccp4bb] Optimization of needle crystals?

2008-04-17 Thread wu donghui
You might have to test if it is salt/detergent or protein crystal first. If it is really protein crystal, never give up and for needle crystal, generally it is difficult to optimze, however in most cases, the diffraction is well enough. If it is protein crystal, as some researcher has mentioned, fi

Re: [ccp4bb] SUMARY: Optimization of needle crystals

2008-04-17 Thread Christophe Wirth
Hi, I can confirm what Bert Van Den Berg wrote about the round shaped "crystals". It seems to appear often with DDM (in my case too, even sometimes in several drops per screen) and first looks like phase separation. Then it starts to be hard and is looking like a small CD under the microscope

[ccp4bb] refining low resolution structures

2008-04-17 Thread Mario Milani
Hi, it could be really useful in refining low resolution structure (with poor electron density map) to have a refinement program that can restrain phi and psi angles to follow Ramachandran plot. Does anyone know if such program exist? Thank you, mario Mario Milani, PhD University of Milan

Re: [ccp4bb] SUMARY: Optimization of needle crystals

2008-04-17 Thread Van Den Berg, Bert
Another possible, and easy, way to optimize initial hits is to take your hit condition in the reservoir and add small volumes (say 10% or so) of other screen solutions. In this way you get small deviations from the initial hit condition that may lead to better crystals or at least gives you hint

Re: [ccp4bb] refining low resolution structures

2008-04-17 Thread Bjørn Pañella Pedersen
Hi Mario Maintaining the secondary structure of your protein when refining against weak data can be really challenging. There are some options, but in the end you might have to accept a fairly large number of Ramachandran plot outliers. Try phenix.refine with the keyword "discard_psi_phi=Fals

Re: [ccp4bb] refining low resolution structures

2008-04-17 Thread Anastassis Perrakis
Remember that phi-psi angels are excellent for validation purposes, but only when they are unrestrained, so if you restrain them you lose this option. The above is a very important point! Having now said that, restraining alpha-helices hydrogen bonding, and beta-sheet cross-strand hydrog

[ccp4bb] refining low resolution structures

2008-04-17 Thread Mario Milani
After many warning messages, I think I have to clarify the meaning of my question. After careful refining, in a low resolution structure often many residues (mainly in loop regions) can still adopt different dihedral conformations which are equally compatible with a low resolution electron

Re: [ccp4bb] Optimization of needle crystals?

2008-04-17 Thread pstogios
Don't be afraid of trying to shoot needles. You'll have to improve yours but it was possible for me. I managed to increase the size of some needles to the point where I could (with great difficulty) pick them up with a loop and shoot them. The key was changing the cation from Na to Zn2 . Tr

Re: [ccp4bb] How to dissolve a hydrophobic peptide?

2008-04-17 Thread Simon Kolstoe
I co-crystalise a protein with insoluble ligands fairly frequently and normally dissolve the ligand (about 1mg) in 50ul DMSO and then add 450ul buffer. The solution is often rather cloudy so I set up one set of hanging drops with the cloudy solution, then spin out the precipitate and set up

[ccp4bb] How to generate atoms lying on plane - surface generation

2008-04-17 Thread Narayanan Ramasubbu
Dear All: Is there a simple graphical way to generate atoms that lie on a surface (and wite out a pdb file) for modeling surface docking experiments? Thanks a lot Subbu I am looking for Cerius2 type but any code will be fine

[ccp4bb] Problems using QNIFFT for RNA structure

2008-04-17 Thread arati
I have recently installed QNIFFT on an SGI machine and am trying to use it to calculate the electrostatic surface potential of an RNA structure. The installation went fine and I am able to run the program, but I keep getting this message- "error reading the radius file". The radius file I am usin

[ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread Buz Barstow
Dear All, I'm having trouble installing coot on MacOSX 10.5.2 on my MacBook Pro (Core Duo model). I would like to install coot using fink, but am getting stuck when it comes to installing ruby. Has anyone else experienced this problem? Also, are there any alternative solutions to installi

Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread Chris Richardson
On 17 Apr 2008, at 6:07 PM, Buz Barstow wrote: I'm having trouble installing coot on MacOSX 10.5.2 on my MacBook Pro (Core Duo model). I would like to install coot using fink, but am getting stuck when it comes to installing ruby. Has anyone else experienced this problem? I've spent the a

[ccp4bb] error running refmac version 5.4.0073

2008-04-17 Thread Sangeetha Vedula
Dear bb members, I just installed the most current version of refmac5 for Mac OSX. When I attempt to run it, however, it fails with an error message: The program run with command: refmac5 ... (lists input and output files) has failed with error message error in dsyev_mo

Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread William Scott
Dear Chris et al, My guess is something needs ruby built as a build-time dependency, but coot doesn't require it. In any case, I've got the latest version of ruby built and anyone who needs it can download it from one of my servers as described on this page: http://tinyurl.com/h2lzq That

[ccp4bb] Molecular Replacement at low resolution

2008-04-17 Thread Junyu Xiao
Hi, Does anyone have experience with molecular replacement at low resolution? I have a 6Å dataset with probably 3-4 monomers per ASU. Phaser doesn't seem to give me clear results. Can I get some advice? Any comment will be appreciated. Thanks a lot, Junyu ===

Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread Buz Barstow
Hi Bill, Thanks for your advice! Ruby now installs on my machine, as does Coot (which is what I really wanted). Unfortunately, coot is unhappy with my X11 install. When I run coot, I get the following error: dyld: Library not loaded: /usr/X11/lib/libfontconfig.1.dylib Referenced from:

Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread William Scott
Hi Buz: You need to upgrade to the current (three day old) X11, available from here: http://trac.macosforge.org/projects/xquartz It fixes a lot of bugs, so the pain you are being subjected to now will be worth it. Bill William G. Scott Contact info: http://chemistry.ucsc.edu/~wgscott/

Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread Buz Barstow
Hi Bill, Thanks a lot for your advice. Coot now installs and runs, however, I do get some warnings; ** (coot:20738): WARNING **: Error loading pixmap file: /sw/share/coot/ pixmaps/connect-to-ccp4.svg ** (coot:20738): WARNING **: Error loading pixmap file: /sw/share/coot/ pixmaps/connect-to-

Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread William Scott
I have i librsvg22.9.5-11SAX-based render library for SVG files i librsvg2-gtk2.9.5-11Enable GTK to use SVG data i librsvg2-shlibs 2.9.5-11SAX-based render library for SVG files Do you have all of those installed? If not, the package i

Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread Buz Barstow
Hi Bill Up until a moment ago, my installed fink packages (matching librsvg2) were; librsvg2 2.9.5-11 SAX-based render library for SVG files librsvg2-bin 2.9.5-11 SAX-based render library for SVG files i librsvg2-gtk 2.9.5-11

Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-17 Thread William Scott
Dear Buz: Not sure why you have to install ruby. But if you describe the problem, I might be able to help. Meanwhile you can use what I pre-compiled: http://tinyurl.com/h2lzq This will speed things up by a few orders of magnitude. Bill On Apr 17, 2008, at 10:07 AM, Buz Barstow wrote: