Re: [ccp4bb] image compression

2011-11-08 Thread Graeme Winter
HI James, Regarding the suggestion of lossy compression, it is really hard to comment without having a good idea of the real cost of doing this. So, I have a suggestion: - grab a bag of JCSG data sets, which we know should all be essentially OK. - you squash then unsquash them with your

Re: [ccp4bb] weight matrix and R-FreeR gap optimization

2011-11-08 Thread Robbie Joosten
Hi James, That is not exactly a lot of info to decide the best weight. The optimal weight is (very loosely) resolution dependent. At normal resolutions the optimal matrix weight is usually well below 1.0. Start at 0.3 and try a few weights to see what works best for your data. To close the

Re: [ccp4bb] image compression

2011-11-08 Thread Kay Diederichs
Hi James, I see no real need for lossy compression datasets. They may be useful for demonstration purposes, and to follow synchrotron data collection remotely. But for processing I need the real data. It is my experience that structure solution, at least in the difficult cases, depends on

Re: [ccp4bb] image compression

2011-11-08 Thread Harry Powell
Hi I am not a fan of one-way computational processes with unique data. Thoughts anyone? Cheerio, Graeme I agree. Harry -- Dr Harry Powell, MRC Laboratory of Molecular Biology, MRC Centre, Hills Road, Cambridge, CB2 0QH

Re: [ccp4bb] image compression

2011-11-08 Thread Miguel Ortiz Lombardía
Le 08/11/11 10:15, Kay Diederichs a écrit : Hi James, I see no real need for lossy compression datasets. They may be useful for demonstration purposes, and to follow synchrotron data collection remotely. But for processing I need the real data. It is my experience that structure solution,

Re: [ccp4bb] image compression

2011-11-08 Thread Herbert J. Bernstein
Um, but isn't Crystallograpy based on a series of one-way computational processes: photons - images images - {struture factors, symmetry} {structure factors, symmetry, chemistry} - solution {structure factors, symmetry, chemistry, solution} - refined solution At each stage we

Re: [ccp4bb] Installation of CCP4 under Windows 7

2011-11-08 Thread Robert Oeffner
Hi, I have encountered this problem with CCP4 6.2.0 as well as for the past few years. Whenever I run the CCP4 installer for all users on my Windows Vista PC as administrator it only creates desktop icons and startup menu item for the administrator account, not for other users. It appears

Re: [ccp4bb] image compression

2011-11-08 Thread Graeme Winter
Dear Herbert, Sorry, the point I was getting at was that the process is one way, but if it is also *destructive* i.e. the original master is not available then I would not be happy. If the master copy of what was actually recorded is available from a tape someplace perhaps not all that quickly

[ccp4bb] 4th Winter School on soft X-rays in Macromolecular Crystallography

2011-11-08 Thread Gordon Leonard
4th Winter School on soft X-rays in Macromolecular Crystallography We are pleased to announce that the 4th Winter school on soft X-rays in Macromolecular Crystallography will take place at the European Synchrotron Radiation Facility, Grenoble, France 6th – 8th February 2012. An increasing

Re: [ccp4bb] Installation of CCP4 under Windows 7

2011-11-08 Thread Marcin Wojdyr
Hi, Thanks for listing all the problems. We are testing a new installer for Windows now. It's written from scratch (we switched from InstallShield to WiX) and if we don't find any issues with it we'll put it on ftp tomorrow. ActiveTcl should not be necessary with this and future versions. In

Re: [ccp4bb] weight matrix and R-FreeR gap optimization

2011-11-08 Thread Eleanor Dodson
On 11/08/2011 05:39 AM, james09 pruza wrote: Dear ccp4bbers, I wonder if someone can help me defining proper weight matrix term in Refmac5 to lower the R-FreeR gap. The log file indicates weight matrix of 1.98 with a gap of 7. Thanks for suggestions in advance. James What is your

Re: [ccp4bb] weight matrix and R-FreeR gap optimization

2011-11-08 Thread Bernhard Rupp (Hofkristallrat a.D.)
What is your resolution? The gap is usually wider at lower resolution. Here a figure displaying distribution gap stats: http://www.ruppweb.org/garland/gallery/Ch12/pages/Biomolecular_Crystallograp hy_Fig_12-24.htm Cheers, BR -Original Message- From: CCP4 bulletin board

[ccp4bb] phaser openmp

2011-11-08 Thread Ed Pozharski
Could anyone point me towards instructions on how to get/build parallelized phaser binary on linux? I searched around but so far found nothing. The latest updated phaser binary doesn't seem to be parallelized. Apologies if this has been resolved before - just point at the relevant thread,

Re: [ccp4bb] phaser openmp

2011-11-08 Thread Dr G. Bunkoczi
Hi Ed, in the CCP4 distribution, openmp is not enabled by default, and there seems to be no easy way to enable it (i.e. by setting a flag at the configure stage). On the other hand, you can easily create a separate build for phaser that is openmp enabled and use phaser from there. To do this,

Re: [ccp4bb] image compression

2011-11-08 Thread James Holton
At the risk of putting this thread back on-topic, my original question was not should I just lossfully compress my images and throw away the originals. My question was: would you download the compressed images first? So far, noone has really answered it. I think it is obvious that of

Re: [ccp4bb] Archiving Images for PDB Depositions

2011-11-08 Thread Deacon, Ashley M.
All, We have been following the CCP4BB discussion with interest. As has been mentioned on several occasions, the JCSG has maintained, for several years now, an open archive of all diffraction datasets associated with our deposited structures. Overall this has been a highly positive

Re: [ccp4bb] image compression

2011-11-08 Thread Miguel Ortiz Lombardia
Le 08/11/2011 19:19, James Holton a écrit : At the risk of putting this thread back on-topic, my original question was not should I just lossfully compress my images and throw away the originals. My question was: would you download the compressed images first? So far, noone has really

Re: [ccp4bb] image compression

2011-11-08 Thread mjvdwoerd
Hmmm, so you would, when collecting large data images, say 4 images, 100MB in size, per second, in the middle of the night, from home, reject seeing compressed images on your data collection software, while the real thing is lingering behind somewhere, to be downloaded and stored later? As

Re: [ccp4bb] image compression

2011-11-08 Thread Miguel Ortiz Lombardia
Le 08/11/2011 20:46, mjvdwo...@netscape.net a écrit : Hmmm, so you would, when collecting large data images, say 4 images, 100MB in size, per second, in the middle of the night, from home, reject seeing compressed images on your data collection software, while the real thing is lingering

Re: [ccp4bb] image compression

2011-11-08 Thread Phil Evans
It would be a good start to get all images written now with lossless compression, instead of the uncompressed images we still get from the ADSC detectors. Something that we've been promised for many years Phil

Re: [ccp4bb] phaser openmp

2011-11-08 Thread Nat Echols
On Tue, Nov 8, 2011 at 4:22 PM, Francois Berenger beren...@riken.jp wrote: In the past I have been quite badly surprised by the no-acceleration I gained when using OpenMP with some of my programs... :( Amdahl's law is cruel: http://en.wikipedia.org/wiki/Amdahl's_law This is the same reason

Re: [ccp4bb] image compression

2011-11-08 Thread Herbert J. Bernstein
ADSC has been a leader in supporting compressed CBF's. = Herbert J. Bernstein Professor of Mathematics and Computer Science Dowling College, Kramer Science Center, KSC 121 Idle Hour Blvd, Oakdale, NY, 11769

Re: [ccp4bb] image compression

2011-11-08 Thread William G. Scott
The mp3/music analogy might be quite appropriate. On some commercial music download sites, there are several options for purchase, ranging from audiophool-grade 24-bit, 192kHz sampled music, to CD-quality (16-bit, 44.1kHz), to mp3 compression and various lossy bit-rates. I am told that the

Re: [ccp4bb] phaser openmp

2011-11-08 Thread Ed Pozharski
See page 3 of this http://www-structmed.cimr.cam.ac.uk/phaser/ccp4-sw2011.pdf On Wed, 2011-11-09 at 09:22 +0900, Francois Berenger wrote: Hello, How faster is the OpenMP version of Phaser versus number of cores used? In the past I have been quite badly surprised by the no-acceleration