Re: [ccp4bb] problem in transformation of pqe 30 clone

2009-07-17 Thread Dianfan Li
Hi, I only read the topic this morning - In some cases, I have to wait 30+ hours to see colonies when I transform BL21 DE3 Star while normally they should appear after 14 hours. Dianfan ar...@xtals.org wrote: Hello In order to know *exactly* what the reason for poor transformation outcome

Re: [ccp4bb] heavy atom derivative choice

2009-07-17 Thread Kay Diederichs
David Briggs schrieb: Bart Hazes used to have an excellent set of notes online about heavy atom derivatisation - I can't seem to find the URL right now... I believe the CCP4 wiki has the information that you're looking for (at

[ccp4bb] NCCR Symposium on New Trends in Structural Biology / NCCR Practical Course on Biomolecular Modelling

2009-07-17 Thread Patrick Sticher
Dear colleagues, we have two announcements to make: _ 7th International NCCR Symposium on New Trends in Structural Biology 7 + 8 September 2009, ETH Zürich, Lecture Hall HG E7, Zürich, Switzerland

[ccp4bb] Postdoc Position at EMBL Grenoble

2009-07-17 Thread Sandor Brockhauser
The Schaffitzel laboratory at the European Molecular Biology Laboratory (EMBL) Grenoble, France seeks to recruit an outstanding postdoctoral scientist in structural biology with a research focus directed towards the structure of macromolecular assemblies. The major theme within the group is

[ccp4bb] Keystroke changes on Coot

2009-07-17 Thread sharotka godzina
I obtained Coot using Fink, and I'm on a MacBook Pro running OS 10.5.7. I've found that in Coot, but in no other programs, my keystrokes are altered. Space bar unzooms, 2 reads r, and delete returns a ,. Downloading from William Scott's webpage didn't help. Any suggestions? -Sarah

Re: [ccp4bb] Keystroke changes on Coot

2009-07-17 Thread Murray, Michael (NIH/NIEHS)
I had this problem earlier in the week. Apparently it's recently become an issue. I found the answer here http://www.techsupportforum.com/alternative-computing/mac-support/389812-x1 1-keyboard-map-messed-up.html Briefly, there seems to be a problem with they keyboard mapping in X11. You

Re: [ccp4bb] OpenGL Stereo 3D on 120 Hz LCDs, at last!

2009-07-17 Thread Jim Fairman
Warren, Do you have a link to the beta drivers? On Fri, Jul 17, 2009 at 1:20 AM, Warren DeLano war...@delsci.com wrote: FYI, for folks not subscribed to pymol-users: nVidia today released beta drivers which at last enable OpenGL-based stereo 3D visualization on 120 Hz LCDs using Quadro

[ccp4bb] Scalepack error model?

2009-07-17 Thread Richard Gillilan
Does anyone know of a detailed rigorous discussion of how the scalepack error model/Bayesian reasoning works? The scalepack manual has no equations for this. Richard Gillilan MacCHESS

[ccp4bb] What is a Macromolecular Complex? Amsterdam, 1-2 October 2009

2009-07-17 Thread Anastassis Perrakis
Dear all, The EU FP7 programs SPINE-2-Complexes, 3d-Repertoire and TEACH-SH are organizing a joined workshop about: What is a Macromolecular Complex? As the subtitle implies, we want to look at the Shades of Meaning across Cellular, Systems and Structural Biology. We have what we

[ccp4bb] EPMR statistics

2009-07-17 Thread Jerry McCully
Dear ALL: We are trying to do a molecular replacement using EPMR. IT is weird that we got high CC(0.56) but with high R factor about 0.89 as well. How can we optimize our EPMR trials to get a definitive correct solutions? Thanks a lot for the help. Have a nice

Re: [ccp4bb] Scalepack error model?

2009-07-17 Thread Dominika Borek
Described in: Borek, D., Minor, W. Otwinowski, Z. (2003) Measurement errors and their consequences in protein crystallography. Acta Cryst. D59: 2031-2038. http://scripts.iucr.org/cgi-bin/paper?ba5035 (open access) or

Re: [ccp4bb] Scalepack error model?

2009-07-17 Thread Joe Cockburn
Dear Richard, I *think* it works like this, don't know if it's detailed or rigourous enough for you! If I(l,h,i) is the intensity of the ith observation of reflection h on frame l, with error sig(l,h,i), and S(l) is the (inverse) scale factor to be applied to frame l, then the error in the scaled

Re: [ccp4bb] Scalepack error model?

2009-07-17 Thread Joe Cockburn
Dear Richard, I *think* it works like this, don't know if it's detailed or rigourous enough for you! If I(l,h,i) is the intensity of the ith observation of reflection h on frame l, with error sig(l,h,i), and S(l) is the (inverse) scale factor to be applied to frame l, then the error in the scaled

Re: [ccp4bb] MAD wavelength

2009-07-17 Thread James Holton
Use the scan. And yes, don't fry your crystal doing it. The best way to do this is put the fluorescence detector as close to the sample as you can and then optimize the count rate by attenuating the beam. However, some beamlines are set up to hit your crystal with full beam and then back off

[ccp4bb] FPLC price

2009-07-17 Thread Natalie Roy
Hi everyone, I forgot to mention the price in the advertisement for the FPLC. We are asking $11,000 CAD for the system. Thanks, Natalie Roy

[ccp4bb] FW: EPMR statistics

2009-07-17 Thread Jerry McCully
Dear ALL: We are trying to do a molecular replacement using EPMR. IT is weird that we got high CC(0.58) but with high R factor about 0.89 as well. The second tier of solutions have cc about 0.54 and R factor about 0.95. How can we optimize our EPMR trials to get a

Re: [ccp4bb] Scalepack error model?

2009-07-17 Thread Richard Gillilan
Thanks Joe and others. Bits and pieces of this story appear in 11.4.8 of International Tables volume F, Borek et. al. Acta Cryst D59 (2003) and the Scalepack manual, but none are complete or have enough detail to follow easily. None of them give the expression for Chi-square for this

Re: [ccp4bb] Scalepack error model?

2009-07-17 Thread Zbyszek Otwinowski
The scalepack log file gives the formula: Summary of reflections intensities and R-factors by intensity bins R linear = SUM ( ABS(I - I)) / SUM (I) R square = SUM ( (I - I) ** 2) / SUM (I ** 2) Chi**2 = SUM ( (I - I) ** 2) / (Error ** 2 * N / (N-1) ) ) which equivalent to the

Re: [ccp4bb] EPMR statistics

2009-07-17 Thread Jerry McCully
Here are the solutions from 100 runs(sorry for the long list). Would you please help to have a look? Thanks a million.---Jerry Soln 1 Rot= 162.63 98.47 303.11 Trn= 26.48 73.35 105.32 CC= 0.452 R= 0.996 Soln 1 Rot= 111.26 104.75 41.63 Trn= 31.00 24.66 69.53 CC= 0.528 R= 0.961 Soln

[ccp4bb] Testers needed for RasMol 2.7.5

2009-07-17 Thread Herbert J. Bernstein
Testers would be appreciated for the release candidate binary kits for the RasMol 2.7.5 on sourceforge: http://downloads.sf.net/openrasmol/RasWin_2_7_5_Install_17Jul09.exe http://downloads.sf.net/openrasmol/RasMol_2_7_5_i686_Slackware_17Jul09.tar.gz