Re: [ccp4bb] Out of topic: Plot Ligand-protein interactions

2012-01-20 Thread krish
Dear Wenhe, You don't need any skills to use Ligplot. Only thing you have to give is the residue number of the ligand or the small molecule you are interested in the command line. There are other commercial software but i don't know whether they are of any interest to you ! MOE or MAESTRO

[ccp4bb] PhD and Postdoc opportunities in Singapore in Structural Biology.

2012-01-20 Thread Bob Robinson
PhD and Postdoc opportunities in Singapore in Structural Biology. The Bob Robinson laboratory is looking for candidates to apply for a range of scholarships and fellowships in conjunction with the laboratory. Joining the laboratory will be conditional on securing the award. The laboratory, in

Re: [ccp4bb] Out of topic: Plot Ligand-protein interactions

2012-01-20 Thread Tom Oldfield
Wenhe There is a ligand environment viewer at the URL below that plots environments of ligands in various view types. At the moment is only works on existing structures since the ligands have to be correctly typed with correct dictionaries. This has a number of export formats.

Re: [ccp4bb] native gels

2012-01-20 Thread Federica Basilico
Hi Anita, I have recently performed it following this protocol I found in the Internet: http://wolfson.huji.ac.il/purification/Protocols/PAGE_Acidic.html I hope this helps! Good luck, Federica -- Federica Basilico Ph.D. student Department of Experimental Oncology European

[ccp4bb] International Max Planck Research School (IMPRS) “From Molecules to Organisms”

2012-01-20 Thread Remco Sprangers
Regarding our IMPRS: Talented junior scientists are offered the opportunity to earn a doctorate under excellent research conditions in Tübingen, Germany. Doctoral students benefit from regular workshops and supervising tutors at the Max Planck Institute for Developmental Biology, the Friedrich

Re: [ccp4bb] MAD

2012-01-20 Thread Vellieux Frederic
For those of you interested, the reply to Tassos' question can be found here: http://www.iucr.org/resources/commissions/crystallographic-computing/schools/school96/ccp4-program-system (on-line) as well as here, http://www.*ccp4*.ac.uk/manual.ps (a ps file). McLaughlin, Terry and Zelinka.

Re: [ccp4bb] Merging data collected at two different wavelength

2012-01-20 Thread Francis E Reyes
Let's have some more info here. What resolution we talking about? What are the space groups? What is the nature of the Co (is it a heavy atom soak?, a bound Co?) Have you tried to find heavy atom sites? (anomalous Patterson, or some other automated method) Are they believable? You say the

Re: [ccp4bb] Merging data collected at two different wavelength

2012-01-20 Thread arka chakraborty
Hi all, There is a good news and it is that we have got crystals this morning which have diffracted upto 2.5 ang at home source and data collection is going on. I hope this solves the problem though the not so good anomalous signal at home source will probably make SAD phasing difficult. However

[ccp4bb] New Faster-than-fast Fourier transform

2012-01-20 Thread Jim Fairman
New Fourier transform algorithm supposedly improves the speed of Fourier transforms get up to a tenfold increase in speed depending upon circumstances. Hopefully this will get incorporated into our refinement programs. http://web.mit.edu/newsoffice/2012/faster-fourier-transforms-0118.html --

Re: [ccp4bb] New Faster-than-fast Fourier transform

2012-01-20 Thread Nat Echols
On Fri, Jan 20, 2012 at 9:37 AM, Jim Fairman fairman@gmail.com wrote: New Fourier transform algorithm supposedly improves the speed of Fourier transforms get up to a tenfold increase in speed depending upon circumstances.  Hopefully this will get incorporated into our refinement programs.

Re: [ccp4bb] New Faster-than-fast Fourier transform

2012-01-20 Thread Ethan Merritt
On Friday, 20 January 2012, Jim Fairman wrote: New Fourier transform algorithm supposedly improves the speed of Fourier transforms get up to a tenfold increase in speed depending upon circumstances. Hopefully this will get incorporated into our refinement programs.

Re: [ccp4bb] New Faster-than-fast Fourier transform

2012-01-20 Thread Bosch, Juergen
The problem is however, that the coffee break is lost in the noise of this FFT. Jürgen On Jan 20, 2012, at 12:57 PM, Ethan Merritt wrote: On Friday, 20 January 2012, Jim Fairman wrote: New Fourier transform algorithm supposedly improves the speed of Fourier transforms get up to a tenfold

[ccp4bb] Protein Fold Motifs- off-topic

2012-01-20 Thread Yuri Pompeu
Hello Everyone, Does anyone know of a quick (yet somewhat reliable) sort of cheat-sheet/quick reference sheet with the more common folds with an illustrative example?

Re: [ccp4bb] Protein Fold Motifs- off-topic

2012-01-20 Thread Jeff Headd
Hi Yuri, I don't know of a cheat-sheet, but I find the Introduction to Protein Structure book by Branden and Tooze to useful for illustrations of common folds. Jeff On Fri, Jan 20, 2012 at 10:13 AM, Yuri Pompeu yuri.pom...@ufl.edu wrote: Hello Everyone, Does anyone know of a quick (yet

Re: [ccp4bb] Protein Fold Motifs- off-topic

2012-01-20 Thread Jacob Keller
A very similar question: how about smaller motifs, such as various turn types, etc.? JPK On Fri, Jan 20, 2012 at 12:37 PM, Jeff Headd jjhe...@lbl.gov wrote: Hi Yuri, I don't know of a cheat-sheet, but I find the Introduction to Protein Structure book by Branden and Tooze to useful for

Re: [ccp4bb] New Faster-than-fast Fourier transform

2012-01-20 Thread George Sheldrick
From the rather non-technical inofrmation available so far, it seems to me that it is like leaving out all but the strongest reflections (or perhaps the strongest normalized structure factors). This is unlikely to improve the quality of structure refinement, the importance of using as much

Re: [ccp4bb] Protein Fold Motifs- off-topic

2012-01-20 Thread Michael Thompson
In addition to the book recommended by Jeff, another good one is Protein Structure and Function by Petsko and Ringe. A bit less cumbersome than Branden and Tooze, but not as complete (it's a relatively thin paperback, rather than a full-blown textbook). If you just want a nice protein domain

Re: [ccp4bb] New Faster-than-fast Fourier transform

2012-01-20 Thread Philippe DUMAS
George Sheldrick gshe...@shelx.uni-ac.gwdg.de a écrit : For all those interested in the technical details about this new Fourier stuff, I saw that the whole paper is available from the web site, not only the simplified account (look at right of this awfully wrong 3-term Fourier synthesis

Re: [ccp4bb] Protein Fold Motifs- off-topic

2012-01-20 Thread Yuri Pompeu
Thanks guys

Re: [ccp4bb] New Faster-than-fast Fourier transform

2012-01-20 Thread Garib N Murshudov
After quick look at the manuscript: It is applicable to sparse signals (i.e. number of non-zero elements is not whole space). It would be applicable to inverse FFT after density modification and gain would not be that much. k-sparse approximation would loose signal (strictly speaking it does

[ccp4bb] protein structure for high schoolers

2012-01-20 Thread James Whittle
Hi- I am trying to help my former chemistry teacher set up a demonstration of protein structure for her class. I'd like to include electron density maps, and maybe show an enzyme active site. Are there suggestions from the BB on the easiest way to do this? Would pymol be the program of choice, or

Re: [ccp4bb] protein structure for high schoolers

2012-01-20 Thread Boaz Shaanan
Hi, I think that spdbv (deepview) and the tutorial has some of what you need. The program is very simple to implement on any Mac or PC, although it's not the nicest program to use in the long run. It'll take you 5 minutes to install and test the features you'd like from the tutorial.

Re: [ccp4bb] protein structure for high schoolers

2012-01-20 Thread Yoder, Marilyn
Hi, I've given a couple talks/demos to HS students. As much as I love enzymes, I found it more effective to show structures of proteins binding to other biological molecules (not just other proteins). I typically show phosphatidylinositol binding protein (PITP) bound to phosphatidylcholine,

[ccp4bb] Fwd: [ccp4bb] Off Topic: Good Mass Spec Facility?

2012-01-20 Thread Austin Rice
Thanks everyone for the helpful responses! For the curious, here is a list of the postings: * I have two to recommend. I don't know how many outside samples they process but Oak Ridge National lab has a spectacular mass spec facility that we used extensively while i was at the University of

[ccp4bb] chemical state of trimethyl lead in the crystal

2012-01-20 Thread Edward A. Berry
Does trimethyl lead tend to lose the Me in aqueous buffers? A colleague is preparing to deposit a 2.9A structure that was refined against the TML derivative (higher resolution than native). Since the Pb was added as trimethyllead, the first inclination is to report the heavy atoms as TML, ligand

Re: [ccp4bb] protein structure for high schoolers

2012-01-20 Thread Andrew Orry
James, I would like to recommend the free ICM-Browser http://www.molsoft.com/icm_browser.html . It is widely used for teaching structural biology and it is easy to make fun and interesting fully interactive 3D slides and animations of protein structures. The students can view the fully

Re: [ccp4bb] protein structure for high schoolers

2012-01-20 Thread Sabuj Pattanayek
foldit doesn't do electron densities and I don't recall if there are any puzzles in it that mention active sites/docking (it's been more than a year since I played it), but it's worth a mention. Hi- I am trying to help my former chemistry teacher set up a demonstration of protein structure