[ccp4bb] Deadline approaching: EMBO course on protein expression, purification and crystallization

2014-05-09 Thread Rob Meijers
Dear all, this is a reminder that the deadline for application to the EMBO Practical Course Protein expression, purification and characterization/crystallization (PEPC9) is 18th of May.  The course will be held at EMBL Hamburg from the 8th of September until the 16th of September 2014. This is

Re: [ccp4bb] FORTRAN still rules?

2014-05-09 Thread Chris Morris
Speed of a computer language can mean two things. Seconds from run command to result depends on the quality of the language implementation. Months from hiring to publication depends on the quality of the language design. Which of these matters most depends on context. Date:Thu, 8 May 2014

[ccp4bb] Knauer Bioline FPLC

2014-05-09 Thread Remco Sprangers
Dear Ccp4, I wondered if anyone has experience with a Knauer Bioline FPLC system for the purification of proteins. On paper, the Knauer system seems a good alternative to the more commonly used Aekta and (NGC) Bio-rad system. As there are not many Bioline Knauer systems around I would

Re: [ccp4bb] FORTRAN still rules?

2014-05-09 Thread Adam Ralph
Can it be parallelized? That is how you reduce run-time. One of the tests matrix-matrix multiplication has been successfully speeded up by using GPUs. CUDA is the language used for this, which is a derivative of C. To be fair you only see the benefit for really large matrices, smaller ones

Re: [ccp4bb] FORTRAN still rules?

2014-05-09 Thread Pascal
Le 09/05/2014 15:36, Adam Ralph a écrit : Can it be parallelized? That is how you reduce run-time. One of the tests matrix-matrix multiplication has been successfully speeded up by using GPUs. CUDA is the language used for this, which is a derivative of C. To be fair you only see the benefit

Re: [ccp4bb] FORTRAN still rules?

2014-05-09 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Pascal, I would think that a good programmer can often optimise better for a specific problem than a general purpose library would. For example I implemented a peak search for diffraction images which is about an order of magnitude faster than

Re: [ccp4bb] Comments needed CBF X-axis definition ambiguity

2014-05-09 Thread Peter Keller
Dear Herb, These things happen. I have been interpreting the CBF coordinate system as being a generalised form of the d*TREK one. I read the definition on page 26 of the document that I have found here: http://www.rigaku.com/downloads/software/free/dTREK%20Image%20Format% 20v1.1.pdf to

Re: [ccp4bb] Crystals Disappearing Overnight

2014-05-09 Thread Clayton, Gina
Dear Maria have you collected the crystals before they dissolve and washed them, then either dissolved them in SDS PAGE buffer and ran them on an SDS PAGE gel (for say a western blot) or capillary mounted them, then shot them on the x-ray set to determine if they are protein or small

[ccp4bb] Superpose

2014-05-09 Thread Horacio Botti
Dear all, Why does (if it is suppossed to do so) Superpose output results for a subset of atoms only? See a summary of log file below (just the top lines, data on atoms, and final data and message). In the example, results for residues 69-76 are absent, other atoms are absent as well,

Re: [ccp4bb] Superpose

2014-05-09 Thread Horacio Botti
I should have said that this is the comparison of two crystaline states of the same molecule, the sequences are identical. Best H hbo...@pasteur.edu.uy ha escrito: Dear all, Why does (if it is suppossed to do so) Superpose output results for a subset of atoms only? See a summary of log

Re: [ccp4bb] Superpose

2014-05-09 Thread Tim Gruene
Dear H, you are referring to superpose, but your logfile lists the output from LSQKAB, which are two different programs. According to the man-page of superpose, it uses secondary structure elements for superposition, so maybe the missing atoms are those not part of a helix and not part of a

Re: [ccp4bb] Crystals Disappearing Overnight

2014-05-09 Thread Shane Caldwell
Hi Maria, Adenosine is quite stable but not very soluble in aqueous solution. A labmate of mine would routinely observe adenosine precipitating in his crystal trays, which later dissolved, presumably as his protein slowly took up ligand. To follow the previous comments, I'd make sure what you