[ccp4bb] determining the domain for overexpression and crystallization

2011-03-07 Thread Xianhui Wu
Dear all, Before we try to study the crystal structure of an unknown protein, we need to determine the sequence that can fold into a compact and stable 3D domain. What kinds of methods can we choose? -- Best regards, XH Wu

Re: [ccp4bb] determining the domain for overexpression and crystallization

2011-03-07 Thread Vellieux Frederic
Hi, There's a whole bunch of programs that can help you out there. The 2 methods I think of right now are DISPROT (there's a server I believe, http://www.ist.temple.edu/disprot/ ) - Must admit I haven't been to that one for quite a while; DISPROT provides areas of your sequence with high

[ccp4bb] sealing tapes

2011-03-07 Thread ferrer
Dear all, Sorry for this slightly off-topic email, but I am looking for a transparent sealing tape for 96-well crystallization plates, with the following properties: - high sealing performances - compatible with UV screening - optionally, available as rolls Thanks for your help JL -- Jean-Luc

Re: [ccp4bb] sealing tapes

2011-03-07 Thread Flip Hoedemaeker
Hi Jean-Luc, We have complied a list of UV compatible cover media and plates. The list is by all means not complete yet, but the best seals we found are all sheets (that does not mean all sheets are UV compatible!). If you want I can send you a PDF file outside of the BB. Flip On 3/7/2011

Re: [ccp4bb] disulfide bridge in red density

2011-03-07 Thread sadaf iqbal
Hello everyone, Thank you very much for giving me such a valuable information. I will try one by one each suggestion and then ask again if i feel more problem. thanks regards Sadaf Iqbal PhD Scholar ICCBS, University of Karachi, Pakistan. Visiting Scientist University of Hamburg,

Re: [ccp4bb] mosflm gain

2011-03-07 Thread A Leslie
I have to say that I don't fully agree with James' recommendation to adjust the GAIN in MOSFLM until the calculated SDFAC parameter in SCALA is 1.0. (Background information, the sigmas from Mosflm sd(I) are corrected in SCALA according to sd(I) corrected = SdFac * sqrt{sd(I)**2 +

Re: [ccp4bb] disulfide bridge in red density

2011-03-07 Thread Steiner, Roberto
Hi Sadaf It is also possible that the features you observe are also due to anisotropy of the ADPs. At 1.3A resolution you can perform anisotropic refinement. Give it a go and se if it helps. Best Roberto On 6 Mar 2011, at 18:57, sadaf iqbal wrote: Hello everyone, Recently, i have solved a

Re: [ccp4bb] off-topic replay: glycerol in protein stock solutions

2011-03-07 Thread faisal tarique
hello Bert u can also add 50mM to 100 mM Argine and glutamate either alone or combined together..it really works fine..although it will increase the protein stability many fold but i dont know whether it will impede crystallization or not.. others comments are welcome.. Faisal SLS, JNU New

Re: [ccp4bb] off-topic replay: glycerol in protein stock solutions

2011-03-07 Thread Annie Hassell
Hi Tom-- We have had good luck crystallizing proteins with 5-10% glycerol. In the majority of these cases, the glycerol was included in the buffer for the final purification step. We have also seen several cases where 1,2-propanediol worked much better than glycerol. Hope this helps! annie

Re: [ccp4bb] off-topic replay: glycerol in protein stock solutions

2011-03-07 Thread faisal tarique
hello everybody how does arginine and glutamate affect crystallization..what will be the better stabilizing agent during protein purification which wont affect crystallization or have minimal affect on crystallization..example..glycerol, sorbitol, glycine, poline, arginine, glutamate..what should

Re: [ccp4bb] coot can't read my mtz and pdb file

2011-03-07 Thread Mario Sanches
It seems that your mtz doesn't have the map coefficients on it, that is why it is failing. Check if it has the columns FWT PHWT.. If it doesn't them coot will not automatically recognize it. A simple solution would be to run a cycle of rigid body refinement in Refmac and use the output mtz as

Re: [ccp4bb] coot can't read my mtz and pdb file

2011-03-07 Thread 王瑞
Thanks for your suggestion. Your two suggestion is directing me go right to the heart of the matter.Thank you again. Best wishes Wangrui 2011/3/7 Mario Sanches mario...@gmail.com It seems that your mtz doesn't have the map coefficients on it, that is why it is failing. Check if it has the

[ccp4bb] Software development post at Diamond Light Source, UK

2011-03-07 Thread Alun Ashton
Please see below details of a software development post available at Diamond. For full details please go to the web pages at: http://www.diamond.ac.uk/Home/Jobs/Current/DIA0608-TH.html Job Reference: DIA0608/TH Post Type: Full time / Permanent Division: Science Salary information: Circa

[ccp4bb] BCA Spring Meeting 2011: Last day of Early Bird Registration

2011-03-07 Thread Arwen Pearson
Dear All, If you are planning to come to the British Crystallographic Association Spring Meeting in Keele this year today (7th March) is your last chance for the discounted early bird registration. You can register here: http://crystallography.org.uk/spring-meeting-2011 This year's meeting

[ccp4bb] PYMOL installation in openSUSE 11.3 (64 bit)

2011-03-07 Thread Hena Dutta
Hello, I was trying to install PYMOL in my openSUSE 11.3 as follows: cd /usr/local hena@a:/usr/local sudo svn co https://pymol.svn.sourceforge.net/svnroot/pymol/trunk/pymolpymol cd pymol hena@a:/usr/local/pymol sudo python setup.py install And I got the following error at the end: package

Re: [ccp4bb] PYMOL installation in openSUSE 11.3 (64 bit)

2011-03-07 Thread Ben Eisenbraun
Hello Hena, I was trying to install PYMOL in my openSUSE 11.3 as follows: ... In file included from modules/cealign/src/ccealignmodule.H:57:0, from modules/cealign/src/ccealignmodule.cpp:32: layer0/os_python.h:30:19: fatal error: Python.h: No such file or directory You're

Re: [ccp4bb] PYMOL installation in openSUSE 11.3 (64 bit)

2011-03-07 Thread Mark Brooks
Hi, If you're missing Python.h (since your compiler complains about it), I guess you're missing the development package of python, whatever that's called in SUSE. Probably python-devel, according to this: http://www.novell.com/products/linuxpackages/opensuse/python-devel.html Good luck,

Re: [ccp4bb] PYMOL installation in openSUSE 11.3 (64 bit)

2011-03-07 Thread Hena Dutta
Sorry for my earlier non CCP4 posting in CCP4BB. hena On Mon, Mar 7, 2011 at 9:30 AM, Ben Eisenbraun b...@hkl.hms.harvard.eduwrote: Hello Hena, I was trying to install PYMOL in my openSUSE 11.3 as follows: ... In file included from modules/cealign/src/ccealignmodule.H:57:0,

Re: [ccp4bb] determining the domain for overexpression and crystallization

2011-03-07 Thread gauri misra
Hi, To start with it would be great if you look in to the secondary structure prediction of the sequence using any of the standard servers like PSIPRED, JPRED etc. Many more available at expasy site http://ca.expasy.org/tools/. Whatever construct you finally choose to make just remember the

Re: [ccp4bb] determining the domain for overexpression and crystallization

2011-03-07 Thread Mark J van Raaij
for an experimental way to determine soluble domains see the following paper: ESPRIT: an automated, library-based method for mapping and soluble expression of protein domains from challenging targets. Yumerefendi H, Tarendeau F, Mas PJ, Hart DJ. J Struct Biol. 2010 Oct;172(1):66-74. Epub 2010 Mar

[ccp4bb] Ubuntu 10.10 64-bit and COOT

2011-03-07 Thread Pranjal Mahanta
Hi, I just installed CCP4-6.1.13 on my ubuntu (10.10) 64 -bit laptop. I can run CCP4i successfully. But when i try to run coot, i get error : No command 'coot' found. Can someone help me to fix the problem? with regards, Pranjal

Re: [ccp4bb] Ubuntu 10.10 64-bit and COOT

2011-03-07 Thread Eugene Krissinel
coot has to be installed separately, it is not included in ccp4 6.1.13. It is best to get coot binaries from Paul Emsley directly, just google on coot emsley and look for download pages, then choose ubuntu tarball. Best, Eugene. On 7 Mar 2011, at 18:27, Pranjal Mahanta wrote: Hi, I just

Re: [ccp4bb] Ubuntu 10.10 64-bit and COOT

2011-03-07 Thread Lionel Cladière
I install this version of coot: coot-Linux-x86_64-ubuntu-9.04-gtk2 for ubuntu and it works fine Best Lionel Le 07/03/2011 19:35, Eugene Krissinel a écrit : coot has to be installed separately, it is not included in ccp4 6.1.13. It is best to get coot binaries from Paul Emsley directly, just

[ccp4bb] Question about movie making

2011-03-07 Thread mjvdwoerd
All, Pardon the slightly off-topic question. We would like to use Pymol and generate movies with it on a WINDOWS computer. We are very familiar with Pymol and how to make the correct views etc. We write the individual frames out into PNG files. So what is left to do, is to stitch together

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Matthew Chu
Hey Mark, In Window PC, I used ImageReady, which comes with Photoshop. see this: http://sage.ucsc.edu/~wgscott/xtal/movie/making_movie.html Alternatively, using Mac version of Pymol, you can easily make a movie and save it in quick time format see this:

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Matthew Chu
sorry, this is the right link for the mac-pymol movie: people.chem.umass.edu/jhardy/BMS2006Files/pymol%20morphing/PymolMorphingMovie.pdf On Mon, Mar 7, 2011 at 2:07 PM, Matthew Chu linghonmatt...@gmail.comwrote: Hey Mark, In Window PC, I used ImageReady, which comes with Photoshop. see

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Nat Echols
On Mon, Mar 7, 2011 at 1:21 PM, mjvdwo...@netscape.net wrote: We have found videomach, which costs a very small amount of money to obtain. Similarly, Adobe Premiere is affordable for an educational institution. We don't mind paying, but before we go there, does anyone have experience with

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Matthias Haffke
Hi Mark, just use the Windows Movie Maker - it's easy to use and comes along with Windows (or can be downloaded via microsoft.com). This will help you to generate .wmv output files of any kind of video and / or picture files you provide as input files. The best possible quality output format

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Sean Seaver
Dear Mark, I put together a post about creating a movie using PyMOL, eMovie (free) and Adobe ImageReady CS2 to generate a Quicktime movie. http://www.p212121.com/2009/03/24/easily-make-movie-pymol/ I hope that helps. Take Care, Sean P212121 http://store.p212121.com/

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Eric Larson
Hi Mark (and Matthias), I'm not sure if Windows Movie Maker is the same as (or maybe the predecessor to?) Windows Live Movie Maker (http://explore.live.com/windows-live-movie-maker?os=other), but this is what I used recently to string together a series of png images from pymol to make a wmv

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Nathaniel Clark
I use ImageJ for this purpose. There is a flag for something like 'use virtual stacks' or 'use virtual memory' that I needed to prevent crashing. Nat On Mon, Mar 7, 2011 at 5:30 PM, Sean Seaver s...@p212121.com wrote: Dear Mark, I put together a post about creating a movie using PyMOL,

Re: [ccp4bb] Question about movie making

2011-03-07 Thread Matthias Zebisch
VirtualDub is the (absolutely free) program of choice, I'd say. Good luck, Matthias Am 07/03/2011 21:21, schrieb mjvdwo...@netscape.net: All, Pardon the slightly off-topic question. We would like to use Pymol and generate movies with it on a WINDOWS computer. We are very familiar with

[ccp4bb] Structural Biology position at Monsanto

2011-03-07 Thread Artem Evdokimov
Friends, I would like to draw your attention to the announcement below. Informal inquiries are welcome (directed to me) however actual applications should be directed to the web site listed in the announcement (use requisition number 003Y4 to find the position and apply). Thank you for your

[ccp4bb] Post-doc position at IBS, Grenoble

2011-03-07 Thread Joanna TIMMINS
Dear colleagues, A post-doctoral position will be opened at the IBS in Grenoble (see below). I would be very grateful if you could forward the information below to potential candidates. Post-doc position at the Institut de Biologie Structurale, Grenoble, France *Structural Biology of DNA