[ccp4bb] relations between groups and subgroups?

2012-11-13 Thread vincent Chaptal
Dear all, I am not sure I understand point groups and relations between groups and subgroups anymore, and would appreciate some guidance. I was under the impression that all point groups were related to an original P1 cell, and that by applying specific lattice symmetries, one could "get" hi

Re: [ccp4bb] diffraction protein or salt

2012-11-13 Thread Ganesh Natrajan
Dear George, Le 13/11/12 11:17, George a écrit : Dear colleagues, There are some crystallographers with (much) more experience than me. I ‘ve attached few diffraction images which are not (in my opinion) typical salt but not typical protein either. Please let me know you suggestions.

Re: [ccp4bb] diffraction protein or salt

2012-11-13 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear George, the images don't look like a large cell to me: on the first image you can see spots from ice rings at about 4A and there are only very few spots inside that radius, all of which are at beyond 5A. I'd say there are traces of MgS04 or CaSO4

Re: [ccp4bb] diffraction protein or salt

2012-11-13 Thread Felix Frolow
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 Ac

Re: [ccp4bb] relations between groups and subgroups?

2012-11-13 Thread Harry Powell
Hi The relations are in International Tables Vol A; in the 2006 edition you find them in section 9.2 by P.M. de Wolff, pp 750 - 755; the transformations for the 44 characteristic lattices (or lattice characters...) are in Table 9.2.5.1. In Mosflm, the autoindexing penalties are based on the dif

Re: [ccp4bb] diffraction protein or salt

2012-11-13 Thread Ganesh Natrajan
Hi, First I'm sorry for my blank message earlier. Doesn't this depend on the oscillation angle? If those images were collected using 0 to 1° oscillations, I would assume he has a badly diffracting protein crystal. Ganesh Le 13/11/12 11:34, Tim Gruene a écrit : -BEGIN PGP SIGNED MESSA

Re: [ccp4bb] diffraction protein or salt

2012-11-13 Thread Felix Frolow
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 Ce

Re: [ccp4bb] diffraction protein or salt

2012-11-13 Thread Ganesh Natrajan
Hi Felix, It appeared to me when I first saw the images that there were some (very ) weak spots at low resolutions. I looked again and there aren't any. I stand corrected. Thank you Ganesh Le 13/11/12 14:01, Felix Frolow a écrit : Ganesh!!! NO WAY !!! FF Dr Felix Frolow Professor of Stru

Re: [ccp4bb] dihedral backbone generator

2012-11-13 Thread Gerard DVD Kleywegt
If you have an old copy of MOLEMAN (not MOLEMAN2!) lying around, this can be done very easily (ever since it was programmed on Valentine's Day 1993, in fact - I even remember who my Valentine was :-) - see: http://xray.bmc.uu.se/usf/moleman_man.html#S13 - READ your original model (PDB fi

Re: [ccp4bb] Coot 0.7 Saving Dialog opens behind main window

2012-11-13 Thread Sampson, Jared
Terrific! I always thought it was X11-related as well. Thanks to Paul and Bernhard for the fix. Cheers, Jared -- Jared Sampson Xiangpeng Kong Lab NYU Langone Medical Center 550 First Ave MSB 398 New York, NY 10016 212-263-7898 http://kong.med.nyu.edu/ On Nov 7, 2012, at 1:53 PM, Jon Agirre

Re: [ccp4bb] hkl2000 install

2012-11-13 Thread Dmitry Rodionov
I believe cr_info should go in /usr/local/hklint along with site files. It does not have to be executable but must be readable by all. (chmod a+r cr_info) Regards, Dmitry Rodionov On 2012-11-13, at 12:33 AM, 王瑞 wrote: > Dear everyone: > > I have got the returned "cr_info.dat" to /usr/local/li

Re: [ccp4bb] hkl2000 install

2012-11-13 Thread Fischmann, Thierry
It will also look in the directory where you start HKL2000. Thierry -Original Message- From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Dmitry Rodionov Sent: Tuesday, November 13, 2012 11:13 AM To: CCP4BB@JISCMAIL.AC.UK Subject: Re: [ccp4bb] hkl2000 install I believ

Re: [ccp4bb] hkl2000 install

2012-11-13 Thread Felix Frolow
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] hkl2000 install

2012-11-13 Thread Dmitry Rodionov
Rui, I just noticed in your email you wrote "cr_info.dat" That is the cause of your problem If you actually added .dat extension. We have always kept ours in /usr/local/hklint Which is funny because it is not one of the folders suggested by HKL people. Thierry and Felix are right about other loca

Re: [ccp4bb] Reservoir buffer

2012-11-13 Thread R. M. Garavito
Theresa, In addition to the comments provided, you do need to consider the vapor diffusion experiment process as a whole. The primary reasons why we put the precipitant mixture in the reservoir, aside from being lazy, is (1) it provides a straight forward and partially accurate starting point

Re: [ccp4bb] Glass Capillaries

2012-11-13 Thread Jose A. Gavira
Dear Michael, I work with capillaries in a regular bases to grow crystal and use them for RT data collection or cryogenic temperature data collection at home source or at synchrotron sources. I like better borosilicate glass capillaries from Triana (http://www.trianatech.com/), as Patrick has alre

[ccp4bb] off topic: oligomer detection

2012-11-13 Thread Careina Edgooms
Anyone have any advice on how to detect whether my protein is forming oligomers? It is monomeric in the native state but I have reason to believe that it may be oligomerising in mild concentrations of urea (intermediate state). I have tried cross linking and BN PAGE and they are inconclusive. SE