Re: [ccp4bb] Question about movie making

2011-03-08 Thread Petr Leiman
Hi Mark, What about UCSF Chimera? Very easy to use. http://www.cgl.ucsf.edu/chimera/tutorials/movies08/moviemaking.html More on the topic: http://www.cgl.ucsf.edu/chimera/animations/animations.html Check out the Nuclear pores movie. Amazing stuff. A few years back one had to pay huge $$$ for

Re: [ccp4bb] Question about movie making

2011-03-08 Thread Maike Bublitz
Dear Mark, I am always using mencoder with Windows and it has so far always worked fine for me. I didn't need to install anything, normally I just copy the mencoder.exe file to the directory with my png frames. Then, I use the following command line in a DOS command window:

[ccp4bb] xtalPiMS Software Developer, Oulu

2011-03-08 Thread Chris Morris
There is a vacancy for a software developer at the University of Oulu. Details are below, and also at: http://www.oulu.fi/dokumentit/jobs/xtalPiMS_Software_Developer.rtf regards, Chris Chris Morris chris.mor...@stfc.ac.uk Tel: +44 (0)1925

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

2011-03-08 Thread Pranjal Mahanta
Thanks for your kind help. i am able to fix the problem. I installed coot-Linux-x86_64-ubuntu-9.04-gtk2 and set the path variable. now it is working fine. thanks again, Pranjal On Tue, Mar 8, 2011 at 12:10 AM, Lionel Cladière cladi...@sb-roscoff.frwrote: I install this version of coot:

[ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Sebastiano Pasqualato
Dear all, I was wondering if somebody could help me out by suggesting the best column to be used in a Static Light Scattering (I guess it would be the same for a Multi Angle Light Scattering) instrument. We were suggested using a silica-based column, with very high separation properties, but it

[ccp4bb] Postdoc position in Bacterial Pathogens at Imperial College London, UK.

2011-03-08 Thread Moore, Jeremy
Posted on behalf of Prof Neil Fairweather: Post-doc in Structural Biology of Bacterial Pathogens Imperial College London A post-doctoral research associate with experience in crystallography is available in the laboratory of Prof Neil Fairweather. The position, funded by the MRC, is to

[ccp4bb] Postdoctoral Position Available in London

2011-03-08 Thread Steiner, Roberto
Dear CCP4-ers, _ Postdoctoral position in reactive oxygen species (ROS) biology A postdoctoral position supported by the King’s College London British Heart Foundation Centre of Excellence is available at King’s College London in the field of

[ccp4bb] post-doc position MRC-LMB

2011-03-08 Thread Sjors Scheres
* MRC Laboratory of Molecular Biology * We are looking for a postdoctoral scientist with a computational background to join the group of Sjors Scheres on the development of new statistical image processing approaches, such as maximum likelihood refinement, for cryo-electron microscopy. Our

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

2011-03-08 Thread Ed Pozharski
Also, consider this http://www.mail-archive.com/coot@jiscmail.ac.uk/msg02024.html On Mon, 2011-03-07 at 23:57 +0530, Pranjal Mahanta wrote: 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

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Sally Pham Thanh Van
Dear Sebastiano, From my experiences, Wyatt columns are the best. Best wishes, Sally. On Tue, Mar 8, 2011 at 2:03 PM, Sebastiano Pasqualato sebastiano.pasqual...@gmail.com wrote: Dear all, I was wondering if somebody could help me out by suggesting the best column to be used in a Static

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Federico Forneris
Hi Sebastiano, we are very happy with the SEC columns from Wyatt coupled to our FPLC/MALLS machine. http://www.wyatt.com/solutions/hardware/sec-columns-for-multi-angle-light-sc attering.html The separation range is (more or less) comparable to GE standard spdx 200/75/superose 6, and the columns

Re: [ccp4bb] Question about movie making

2011-03-08 Thread Caroline Koshy
Hey Mark, You could also try the MPEGstreamclip for windows: http://www.squared5.com/. This would read .png files and put them together in a variety of supported formats. -Caroline On Mon, Mar 7, 2011 at 10:21 PM, mjvdwo...@netscape.net wrote: All, Pardon the slightly off-topic question.

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Nikos Pinotsis
Hi Sebastiano, we have used both silica based and superdex columns and we found the second as a better option for general usage. Most of our proteins are on basic buffer and about 50% of them stick on the silica based column. On the other side a superdex 200 10/30 from GE performed quite

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Sally Pham Thanh Van
I should say clearer that I did a comparison between GE (Superdex 200 10/30) and the Wyatt column of the same separation range on AKTA connected with MALS. The Wyatt column gave better resolution for size exclusion chromatography as well as signal-noise ratio for light scattering. So I think it

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Jacob Keller
So from where does Wyatt outsource their columns? JPK On Tue, Mar 8, 2011 at 10:49 AM, Sally Pham Thanh Van sally.pha...@gmail.com wrote:  I should say clearer that I did a comparison between GE (Superdex 200 10/30) and the Wyatt column of the same separation range on AKTA connected with

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Tommi Kajander
Hi, they buy it from some small company, idea being the applicability to SLS, optimized for minimized bleeding/sheding or material from the column, which will show up only in the light scattering detector. but i have to say some of our proteins stick to their columns (happened during the

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Engin Özkan
On 3/8/11 5:03 AM, Sebastiano Pasqualato wrote: On the other hand, GE Healthcare columns would require a huge amount of material to be loaded. What do you mean by a huge amount of material? You would not be using a 16/60 column (125 ml column volume) for an analytical experiment. How about a

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Dima Klenchin
they buy it from some small company, idea being the applicability to SLS, optimized for minimized bleeding/sheding or material from the column, which will show up only in the light scattering detector. I don't know. Every single spec of Wyatts columns looks exactly the same as Bio SEC-5 series

Re: [ccp4bb] [OT] which column to use in SLS/MALS instruments

2011-03-08 Thread Engin Özkan
And as others have said shedding of dextran is a problem with GE columns (this was confirmed to me by GE people), but after extensive system equilibration, we do not see a problem significant enough to ever hurt our light scattering measurements. Engin On 3/8/11 10:38 AM, Engin Özkan wrote:

Re: [ccp4bb] I/sigmaI of 3.0 rule

2011-03-08 Thread James Holton
Although George does not mention anything about data reduction programs, I take from his description that common small-molecule data processing packages (SAINT, others?), have also been modernized to record all data (no I/sigmaI 2 or 3 cutoff). I agree with him that this is a good thing!

Re: [ccp4bb] mosflm gain

2011-03-08 Thread James Holton
Andrew! You don't believe me? Well, I suppose it serves me right for not explaining where the idea came from (see below). I do, however, agree with Andrew's assessment that the default-chosen gain in MOSFLM is adequate for all practical purposes. Any error in GAIN will be almost exactly

[ccp4bb] PDB data mining

2011-03-08 Thread Cale Dakwar
Hello all, For any given structure in the PDB, I want to identify all the Histidine ND1 atoms. I then want to consider these atoms in pairs, measure the distance in Angstroms between the ND1 atoms in each pair, and compile these distances (along with residue numbers of the pair) in a table. I

Re: [ccp4bb] PDB data mining

2011-03-08 Thread Ed Pozharski
On Tue, 2011-03-08 at 17:44 -0500, Cale Dakwar wrote: Amongst other things, I want e.g. generate a histogram from this table and determine e.g. the shortest HisND1 pair distance observed and the structure in which this happens. For this specific question this can be useful

[ccp4bb] Automatic LINK generation

2011-03-08 Thread Hailiang Zhang
Hi there, I am trying to build the LINK information in PDB header for sugar-containing protein, and I am wondering whether there is some utility in CCP4 (or any others) can do it automatically (eg by measuring inter-sugar distances). Thanks in advance! Best Regards, Hailiang

Re: [ccp4bb] PDB data mining

2011-03-08 Thread Cale Dakwar
Thanks for the quick reply. This is a very good resource but not quite what I need. As far as I can tell, this resource is based on a dataset from 10-08-1998 and then only included x-ray crystal structure with better than 2 angstrom data. I also can't in this database a mention of the PDB

Re: [ccp4bb] PDB data mining

2011-03-08 Thread Robert Immormino
Hi Cale, My advice would be to find someone local with experience in scripting possibly in python or perl. This is a tractable problem with a bit of scripting and if you aren't already experienced this may be a good opportunity to delve into a bit of programing. Good Luck, -bob On Tue, Mar 8,

Re: [ccp4bb] PDB data mining

2011-03-08 Thread Cale Dakwar
Hello Bob, I am familiar a little with scripting but was hoping someone knew of an already existing tool. Alright, its off to perl then. Thanks, -c On Tue, Mar 8, 2011 at 7:28 PM, Robert Immormino immorm...@gmail.comwrote: Hi Cale, My advice would be to find someone local with experience

Re: [ccp4bb] PDB data mining

2011-03-08 Thread Ian Stokes-Rees
On 3/8/11 5:44 PM, Cale Dakwar wrote: Hello all, For any given structure in the PDB, I want to identify all the Histidine ND1 atoms. I then want to consider these atoms in pairs, measure the distance in Angstroms between the ND1 atoms in each pair, and compile these distances (along with

Re: [ccp4bb] PDB data mining

2011-03-08 Thread Jason Vertrees
Hi Cale, For any given structure in the PDB, I want to identify all the Histidine ND1 atoms.  I then want to consider these atoms in pairs, measure the distance in Angstroms between the ND1 atoms in each pair, and compile these distances (along with residue numbers of the pair) in a table.  I

[ccp4bb] question about composite omit map

2011-03-08 Thread Kyuwon Baek
Dear all, I wonder if there is anyone who ever tried composite omit map with low resolution data. Is there any resolution limit for the composite omit map? or any criteria could help deciding the practicability, like quality of data, map or resolution? I have ~3.7A resolution data and MR

Re: [ccp4bb] PDB data mining

2011-03-08 Thread Thomas Holder
Jason, that was pretty fast! You delivered the script before someone else could even suggest PyMOL ;) If you use from chempy import cpv cpv.distance(aa.coord, bb.coord) instead of cmd.get_distance( index %s % aa.index, index %s % bb.index) it will be significantly faster.