Re: [ccp4bb] CCP4-6.4.0 Update 018

brute force reinstallation right now and hope it will work. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel

Re: [ccp4bb] CCP4-6.4.0 Update 018

Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459 608 On Jun 14

Re: [ccp4bb] baverage: no tables were found in this file

and the life will be much easier. No fix is needed for that, concentrate on more important problems :-) Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail

[ccp4bb] List of projects

I have 350 projects under CCP4 roof. It become difficult to navigate between them as Change Project pop-up menu is running out of window and is unmovable on my Mac laptop. How community solve such problem? FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department

Re: [ccp4bb] puzzle of reference zone in HKL2000

are in the region were small change in angle does not bring large change in the trigonometric function (or vice versa) FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta

[ccp4bb] TER in PDB file

hetero-mers. Is it sane: To demand such thing? Not to supply such thing? Do I miss something ? Does community punch in TER cards manually ? FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978

Re: [ccp4bb] TER in PDB file

Phenix does even more, it adds TER after ions and ligands, so again manual messing is needed. However they may have a jiffy to fix it. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978

Re: [ccp4bb] metals disapear

Are these metals there in the beginning to experiment before radiation damage “destroy” them? Easy to check if X-ray fluorescence facility is installed on the beam line you are measuring. It is sensitive technique and we constantly use it in the beginning of every measurement. FF Dr Felix

Re: [ccp4bb] error in starting imosflm

Hi Tim, What can be a reason to work with an obsolete version of CCP4? I remember reading somewhere that 6.3.0 version is obsolete. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel

Re: [ccp4bb] small molecule crystallography

resolution of the area detector and NOT defined by oscillation range. If it does, change your setup. We need sometimes 10 deg to have enough reflections for indexing. Obviously we need some reflections to define the orientational matrix and cell dimensions. FF Dr Felix Frolow Professor

Re: [ccp4bb] small molecule crystallography

of parameters. However I will be very glad to be corrected if I am wrong. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro

[ccp4bb]

Very reasonable structure, I guess in the direction perpendicular to your picture you will have next donut etc. You can call this - nan-pore ;-) Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978

Re: [ccp4bb] Phasing with Many Monomers/AU

method (attributed to Eleanor Dodson, myself never used it). FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel

[ccp4bb] NCS edits in COOT

? Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular

Re: [ccp4bb] largest protein crystal ever grown?

George laboratory, but maybe among the society there are some who can shed some light on that…. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail

Re: [ccp4bb] largest protein crystal ever grown?

hollow Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459

Re: [ccp4bb] RES: [ccp4bb] Identity of a Bacterial lipid

When USA budget is back :-\ you may give a try to : http://webbook.nist.gov/chemistry/ It helped me several times, very intuitive, I use just a formula for a search, it also accept a wild character for unknown number of atoms. FF Dr Felix Frolow Professor of Structural Biology

Re: [ccp4bb] tricky mr problem

. Your map will look better after refinement, as model can move quite significant distance into better position. Phase extension into better resolution data is a method which is developed already the late 80's. So you are in… Good luck FF Dr Felix Frolow Professor of Structural Biology

Re: [ccp4bb] ctruncate bug?

:-\ Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459 608

Re: [ccp4bb] ctruncate bug?

crystals of small molecules. Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407

Re: [ccp4bb] Curious electron density associated with Asp sidechain

Call EBI, consider some kind of chemical modification. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel

Re: [ccp4bb] CCP4 Update victim of own success

I would serve as a second in this duel, but I respect very much both engaged is this duel… Drop you pistols or swords ! :-) Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta

Re: [ccp4bb] 2Theta data set solving problem

Navin, You mean that you can not PROCESS your data set? What diffraction data processing program are you use? What is your source, goniostat, diffractometer, area detector? FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology

Re: [ccp4bb] High Rmerge and I/sigma values....?

My 2 cents... Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular

Re: [ccp4bb] Diffraction data with big rotation angle

Use HKL2000 Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular

Re: [ccp4bb] How to slow down crystallization? Need hep!

a. Go with phase diagram gradually changing concentrations of protein, precipitant, salt concentrations and pH. Find where you are going out of crystallisation. Define region for streak seeding. b. Screen for ratios of precipitant to protein from 1:9 to 9:1. Dr Felix Frolow Professor

Re: [ccp4bb] Who invented PDB format?

) be made when dealing with many PDBs . You have to explain better what are you meaning. :-\ Thank you, Teri Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta

Re: [ccp4bb] Who invented PDB format?

On Jan 11, 2013, at 03:47 , Teri Arman teriar...@gmail.com wrote: Dear Dr. Frolow Thank you for your mail. I stated again, and hope it is clear now. TA. On Fri, Jan 11, 2013 at 4:11 AM, Felix Frolow mbfro...@post.tau.ac.il wrote: On Jan 10, 2013, at 18:27 , Teri Arman teriar

Re: [ccp4bb] About NCS and inhibitors

Why not? They can be mutually excluding! If one is in, the second can be. This phenomenon brakes a local symmetry. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta

Re: [ccp4bb] About NCS and inhibitors

I apologise for typing blinbly: if one is in, the second can't be FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro

Re: [ccp4bb] Who invented PDB format?

BDLS or even Busing and Levy. Is it possible to convert PDB coordinate convention to fractional? : - ) FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co

Re: [ccp4bb] Who invented PDB format?

Dear Ian, thank you for enlightening my ignorance! So George, maybe PDB coordinates will be accepted by chemical crystallographers? Doing this also them will develop something as nice as bioinformatics! :-) FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department

Re: [ccp4bb] Who invented PDB format?

## ### User: mbfrolow Run date: 7/ 1/2013 Run time: 08:50:16 will help you FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor

Re: [ccp4bb] SeCys usage for SAD

radiation may work like charm (it is usually a case in my hands). In addition, if it happened that you have also couple of Cl etc. it will support phasing even more. I prefer to test S-SAD cases with shelxC/D/E pipeline under HKL2MAP GUI. Happy holidays FF Dr Felix Frolow Professor of Structural

Re: [ccp4bb] refining against weak data and Table I stats

maps is important and not any single number qualifiers :-) Do not believe in a single number qualifier, or, for that matter, in anything else! - Attributed to Vladimir Prelog by Jack Dunitz Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology

Re: [ccp4bb] hkl2000 install

a. What operation system your notebook is running? b. There is no version of HKL2000 for Windows. c. Move to 17 laptop with larger resolution d. You will need special HKL2000 licence for the laptop FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular

Re: [ccp4bb] diffraction protein or salt

Sorry to disappoint you. It is a diffraction pattern from crystals of salt. Spending some time it is possible to check of which :-\ FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel

Re: [ccp4bb] diffraction protein or salt

Ganesh!!! NO WAY !!! FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407

Re: [ccp4bb] hkl2000 install

cr_info can be in several places ~/ (user home directory) working directory /usr/local/lib ( This is the place where I keep it as it is a consensus location for cr_info) about /usr/local/hklint I am not sure, but if you say so, you probably know :-) FF Dr Felix Frolow Professor of Structural

Re: [ccp4bb] Glass Capillaries

Light glasses such as borosilicate. Can be purchased from Hampton research. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro

Re: [ccp4bb] Glass Capillaries

Traditional crystallography is difficult to practice, unless you know mathematics, physics, chemistry, computing etc….. :-) If one need to make science with room temperature diffraction, there is know substitution to old type glass capillaries that can be properly sealed :-\ FF Dr Felix Frolow

Re: [ccp4bb] Glass Capillaries

I apologise for typing in dark. That is why know substitute no :-\ Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il

Re: [ccp4bb] hkl2000 install

It should be called cr_info you have to : sudo chmod +x cr_info in the directory were it is, I think it should be executable try to activate HKL2000 first of all from there : cd /usr/local/lib HKL2000 FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department

Re: [ccp4bb] Reservoir buffer

You should and can try, but I guess 5 M NaCl will dry your drop quite fast, unless in your drop NaCl concentration is ~2,5 M :-) That is why first mixture of well and protein solution is 1:1 v/v. Other variations such as 1:9, 9:1 etc sometimes help. Dr Felix Frolow Professor of Structural

Re: [ccp4bb] hkl2000 install

info is send to HKL.com to get cr_info if you have a legal version FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro

Re: [ccp4bb] low-resolution and zinc

What program do you use for refinement? FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax

Re: [ccp4bb] low-resolution and zinc

that you agree that starting refinement of demanding project at relatively low resolution such as 3.4 Angstrom it is advisable to characterise space group, twinning status etc.? If you agree also to that, with what you do not agree? FF Dr Felix Frolow Professor of Structural Biology

Re: [ccp4bb] low-resolution and zinc

The experiment should be very problematic if I can't determine point group on the base of the symmetry merging statistics. Watch CHI2 :-) Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel

Re: [ccp4bb] low-resolution and zinc

and then displaying anomalous map as a difference map in COOT you MUST see strong peak on this map in the heavy atom location. Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta

Re: [ccp4bb] low-resolution and zinc

Well, galvanised iron is an old story of Zn in insuline… :-\ Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel

Re: [ccp4bb] What to put on Custom Declaration for shipped samples?

. Just go forward, take another person with you, takes doubles, go to different check-in points, system is working sporadically, increase your chance by multiplication FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology

Re: [ccp4bb] Weird electron density on the two-fold axis

. The alts penetrate forbidden region of the symmetry, but only from one molecule. I have seen such things. BTW what program was used to calculate maps? FF Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University

Re: [ccp4bb] Professor Dame Louise Johnson

As a devoted reader of the Protein Crystallography - the first and only comprehensive manual of the protein crystallography, I express my deep sorrow on the departure from us of DBE Commander, Professor Louise Johnson. May her soul rest in peace. In full honor, Dr Felix Frolow Professor

Re: [ccp4bb] CCP4 Update

EXCELLENT !!! Dr Felix Frolow Professor of Structural Biology and Biotechnology, Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407

Re: [ccp4bb] relative intensity of ice rings

It is better to spent time learning how to collect without ice… :-) FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il

Re: [ccp4bb] Fun Question - Is multiple isomorphous replacement an obsolete technique?

!!! FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407 Cellular: 0547 459

Re: [ccp4bb] Fun Question - Is multiple isomorphous replacement an obsolete technique?

Bijvoet - 1949 ! FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407

Re: [ccp4bb] P21221 to P21212 conversion

HKL or most probably SCALEPACK know nothing above point group if you do not tell it. But even in GUI one can use hkl matrix with the needed transformation matrix :-\ What is nice about it that it will never let you to change the handedness of the data, so anomalous signal is safe… FF Dr Felix

Re: [ccp4bb] P21221 to P21212 conversion

Forget to tell that all is done in the menu Macros : - ( FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel

Re: [ccp4bb] P21221 to P21212 conversion

If one make a proper transformation :-/ and supply a correct space group, absent reflections will be printed in the end of scale.log Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta

Re: [ccp4bb] very informative - Trends in Data Fabrication

in shelxl. Look also in : J. F. Nye Physical Properties of Crystals: Their Representation by Tensors and Matrices Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co

Re: [ccp4bb] Always Modelling Anomalous Signal

...@northwestern.edu *** Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723

Re: [ccp4bb] 1.95A, different phases, maps look the same, R/Rfree 22/24, wrong space group? - No alternative origin

change systematically, producing however the same map features. Would I be a begin crystallographer now, I would read a bit more old fashioned books on crystallography such as probably Jensen and Stout… FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular

Re: [ccp4bb] Can I combine selenoMet data and MR model to solve the phase problem?

Could DANO/SIGDANO be included to REFMAC output mtz automatically? I find it very useful on the various stages of refinement to observe anomalous map. Last time I was trying, I failed, probably due to GUI'sh addiction and abandonning line editor. Dr Felix Frolow Professor of Structural

Re: [ccp4bb] Archiving Images for PDB Depositions

photographs (I still own precession camera) and would not make such a mistake. Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro

Re: [ccp4bb] Archiving Images for PDB Depositions

do this by using a standard crystal such as lysozyme) is extremely sensitive in defining Bravais system. I have no experience with POINTLESS, but assume that it is also doing an excellent work. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular

Re: [ccp4bb] IUCr committees, depositing images

molecule? They are good data that show evolution of the beam line stations if they are keeper in historical order. To store them all, or not to store at all… Storage of the diffraction data is not a drinking club with muscle-bound selectors outside :-) Felix Frolow Dr Felix Frolow Professor

Re: [ccp4bb] IUCr committees, depositing images

Sure they will There is no irony in what I say FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640

Re: [ccp4bb] IUCr committees, depositing images

problem from the past, he will not go away from his envious colleagues, who will drop everything and will sit and check, until they will find a mistake. What a pleasure!!! And if there are no mistakes - chapeau !!! FF Dr Felix Frolow Professor of Structural Biology and Biotechnology

Re: [ccp4bb] should the final model be refined against full datset

…. We finish (WE - I again mean - community) the refinement of our structures too early. Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro

Re: [ccp4bb] Denzo/HKL2000 for Pilatus 6M detector

Why not to ask The Lord of Rings? FF Quoting Petr Leiman petr.lei...@epfl.ch: Dear all, What is the status of Denzo/HKL2000 availability/support for the Pilatus 6M detector? Thank you, Petr Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular

Re: [ccp4bb] Y-Chi2 running out of chart

What is your cold stream - phi axis relative and absolute orientation? FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro

Re: [ccp4bb] off-topic: Synchrotron look alike

I still keep a bill of SGI Indigo memory extension from 64 Mb to 128Mb - $ 12,000 from Kingston in 1994 Friends, do not be niggards, life is much nicer today. Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv

Re: [ccp4bb] Script / program to change chain ID 's in symmetry mates - MOLEMAN

MOLEMAN from the Uppsala Software Factory by Gerard Kleywegt of course It is easy as to say Do it! FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor

Re: [ccp4bb] Solidarity with Japan

the program of help with the beam time. I am sure that our community (ESRF users) will support the initiative. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co

Re: [ccp4bb] I/sigmaI of 3.0 rule- do not underestimate gels

Well BR, do not underestimate complexity of running a gel! There are even more harsh referees comments on gel appearance and quality than comments on cutting data based on R,RF and sigmaI :-) Especially when one is trying to penetrate into prestigious journals... Dr Felix Frolow Professor

Re: [ccp4bb] AW: [ccp4bb] bruker smart and mosflm

... There is another option: maybe these are still XENTRONIX formats that were about 18 or 8 altogether if elders remember properly? Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta

Re: [ccp4bb] Strange spots - In book of John Helliwell

of the community deep discontent of all of us.What? even diffraction physics we do not understand in depth? Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e

Re: [ccp4bb] Strange spots

Fig from John (I have a copy of his book in the office and will see it only tomorrow) due to better quality makes it clear (at least for me) that we see the similar effect shown by David Goldstone. Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular

Re: [ccp4bb] Deposition of riding H- Are they or are they not? Additional experiments are needed

to the presence of hydrogen (H) in a structure, whereas the nuclei 1H and 2H (i.e. Deuterium, D) are strong scatterers for neutrons. This means that the position of deuterium in a crystal structure and its thermal motions can be determined far more precisely with neutrons Dr Felix Frolow

Re: [ccp4bb] Deposition of riding H

Fortran code ( do not kill Fortran to early) you will be surprised. There are not so many of them. No graphical user interface yet, but COOT is of great help. Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv

Re: [ccp4bb] Why appear the grid on the low resolution areas

in a dissertation by Eric Sutter The Theory of Kossel Lines http://adsabs.harvard.edu/abs/2000PhDT...109S Or in http://scripts.iucr.org/cgi-bin/paper?S0021889805024660 Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv

Re: [ccp4bb] About SAD phasing

Yes! Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica F, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972-3640-8723 Fax: ++972-3640-9407

Re: [ccp4bb] Heavy atom sites?- Only them?

. To know all this - is as to know how to calculate without computers. Or to have Mentates to navigate in space without computer technology which is presently prohibited after attempts of computers to take over (citing Dune). Dr Felix Frolow Professor of Structural Biology and Biotechnology

Re: [ccp4bb] detection of anomalous signal using HKL2000

),is as used in Scalepack an instrument of a great power. FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica D, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972

Re: [ccp4bb] Converting cif-files into pdb-files / reading cif -files into coot

Hi Fred Well, it is ironic that after acquiring ability to determine a protein structure some times in a few minutes we are still failed my format conversions like 30 years ago :-( Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology

Re: [ccp4bb] X-Ray films

. In the movie there is a scene of Alex's gang beating an elderly scholar, but the list of books that were in his possession is not there. I think it is still counts. I whatched the film after I have reading the book, and knew that crystallography book is there. ;--) Dr Felix Frolow Professor

Re: [ccp4bb] X-Ray films and BOOKS

I would also suggest CP Snow, The search, written in 1934 Very crystallographic, very touching, probably inspired by CP Snow friend JD Bernal This is about our life, friends... FF Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology

[ccp4bb] Phasing statistics now and once

journals will be shaken and snapped off from the gleaming uniforms of the royal hussars, or even will not be given in the first place, to clean the protein crystallography from the reappearing stench of forgery, intentional or not - alike. Dr Felix Frolow Professor of Structural Biology

Re: [ccp4bb] anomalous difference fourier maps, or how to keep chastity of CCP4BB

to be prosecuted. However CCP4BB subscribers can start discussion about implementation of chastity belt (see Wiki site http://en.wikipedia.org/wiki/Chastity_belt for explanation of chastity belt metaphor) for prevention of CCP4BB abuse. Dr Felix Frolow Professor of Structural Biology

Re: [ccp4bb] where I have been going wrong in crystallization?

crystallization attempts I ALWAYS use double distilled (rectified) water. However there is, I must admit, a fume of triple distilled Jameson around (almost always). All this is not written in the Rigaku recipe but is very important. Dr Felix Frolow Professor of Structural Biology

Re: [ccp4bb] fake images and R-Rfree values

258.1 69.1 66.3 0.957 0.256 0.299 All reflections 1875.3 108.175.5 1.018 0.051 0.046 Dr Felix Frolow

Re: [ccp4bb] 3ftt and gremlins

only WHAT IS THERE IN THE INPUT FILE? Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica D, co-editor e-mail: mbfro...@post.tau.ac.il Tel: ++972 3640 8723

Re: [ccp4bb] 3ftt and gremlins

I only wonder, why to fingerpost to 3ftt direction, why now, why in public and why so emotional ? Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica D, co-editor e

Re: [ccp4bb] Structural biology inside the cell

Dear Mark Stay calm Buzz-words come and very frequently do not stay, they go away with the artifacts they advocate... Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta

Re: [ccp4bb] Arp/warp space group P 21 2

Among very many other great things Dr Felix Frolow Professor of Structural Biology and Biotechnology Department of Molecular Microbiology and Biotechnology Tel Aviv University 69978, Israel Acta Crystallographica D, co-editor e-mail: [EMAIL PROTECTED] Tel: ++972-3640-8723 Fax: ++972-3640