Re: [ccp4bb] [COOT] coot install on redhat

2008-04-29 Thread Kay Diederichs
Hi Heidi, why don't you just install the latest binary distribution? That's much less hassle ... just go to http://www.ysbl.york.ac.uk/~emsley/software/binaries/nightlies/pre-release/ and grab e.g. coot-0.5-pre-1-revision-1003-binary-Linux-i386-fedora-5.tar.gz (Fedora 6 corresponds to RHEL5

Re: [ccp4bb] Are Calcium Citrate Crystals A Common False Positive?

2008-04-29 Thread Dunten, Pete W.
And how will you know if they are the calcium citrate xtals Sam asked about, and not sodium citrate xtals? Sodium citrate in the Hampton Crystal Screen condition will crystallize out at 4 degrees. It's solubiility is pH and temperature dependent. You'll need to go to your friendly neighborhood

Re: [ccp4bb] Are Calcium Citrate Crystals A Common False Positive?

2008-04-29 Thread Charlie Bond
Jim Pflugrath wrote: > That's an easy hypothesis to test. Simply set up your drops with the > same conditions except without protein and see if you get crystals. Not always. I've had a few cases where the protein turns out to be the essential additive in order to obtain salt crystals! Looking

Re: [ccp4bb] Are Calcium Citrate Crystals A Common False Positive?

2008-04-29 Thread Jim Pflugrath
That's an easy hypothesis to test. Simply set up your drops with the same conditions except without protein and see if you get crystals. Please let us know the results. Thanks! Jim On Tue, 29 Apr 2008, Sam Stephenson wrote: Are calcium citrate crystals a common false positive in trays with

[ccp4bb] Are Calcium Citrate Crystals A Common False Positive?

2008-04-29 Thread Sam Stephenson
Are calcium citrate crystals a common false positive in trays with up to 200mM of each? There is absolutely no phosphate in the trays so I'm almost positive they're not calcium phosphate. Cheers, Sam - Be a better friend, newshound, and know-it-all with Y

Re: [ccp4bb] discontinuous data wedges in XDS

2008-04-29 Thread Juergen Bosch
You can integrate them as separate wedges (in different directories), then later merge them (XDS_ASCII.HKL) in Xscale. Make sure though you have the orientation right and starting angles etc. You'll have to first refine one wedge, then once you are happy with it copy the GXPARM.XDS into the othe

[ccp4bb] discontinuous data wedges in XDS

2008-04-29 Thread Van Den Berg, Bert
Hi all, is it possible to input discontinuous data wedges into XDS (obtained from for example inverse beam sweeps)? (So wedge se1 goes from 0-90 deg (image 1-90), se2 from 180-270 (image 1-90), etc). Or do I have to rename everything so that I get one data file in which the rotation ranges are

[ccp4bb] Low resolution structure refinement

2008-04-29 Thread Kianoush
Dear All, I have a protein structure I am trying to refine using Refmac. There are ~158,000 atoms modeled (no waters) in the asymetric unit with ~495,000 reflections. There is data to 3.0A resolution with the 2 sigma cutoff at 3.5A. I have four NCS copies in my asymetric unit and when I speci

[ccp4bb] Postdoctoral position at the University of Oregon

2008-04-29 Thread Jim Remington
POSTDOCTORAL POSITION IN STRUCTURAL BIOLOGY Institute of Molecular Biology and Departments of Physics and Biology University of Oregon A postdoctoral position is immediately available for structural studies of the CagA protein from Helicobacter pylori, which causes oncogenic transformations in

Re: [ccp4bb] ccp4 install on Leopard

2008-04-29 Thread Meyer, Peter
Regarding reason 1, you can configure sshd to block root from logging in remotely ("PermitRootLogin no" in /etc/ssh/sshd_config). I was surprised to see that this wasn't the default in some systems, but made sure to turn it on after I saw my first dictionary attack (and since). Not that I disa

[ccp4bb] Helical wheel drawing

2008-04-29 Thread Neeraj
Hi all, I am looking for a software that can help me draw a helical wheel diagram with appropriate coloring of the residues for a few peptides. Does anyone knows a cool program for the same. thanks Neeraj -- Neeraj Kapoor TPCB Graduate Fellow Sakmar Lab/ Molecular Biology & Biochemistry

Re: [ccp4bb] Coot surfaces

2008-04-29 Thread Paul Emsley
Sickmier, Allen wrote: Hi All, Is there a way to draw surfaces in coot, or is there a nice associated program that will draw surfaces in coot. I know about the dotted surface but I was looking for more of a continuous surface. Like insight or pymol. Hi Allen, Yes there is a way (if

[ccp4bb] Coot surfaces

2008-04-29 Thread Sickmier, Allen
Hi All, Is there a way to draw surfaces in coot, or is there a nice associated program that will draw surfaces in coot. I know about the dotted surface but I was looking for more of a continuous surface. Like insight or pymol. Allen

[ccp4bb] postdoctoral position

2008-04-29 Thread Roger Williams
A postdoctoral position is available in the group of Roger Williams focusing on the biogenesis of multivesicular endosomes in lysosomal sorting. You will make a significant contribution to a research programme that will unravel the biogenesis of the multivesicular body and reconstitute this

Re: [ccp4bb] ccp4 install on Leopard

2008-04-29 Thread Dirk Kostrewa
I usually install crystallographic software as administrator using sudo under /usr/local/xtal and make it readable/executable for all users. This is sufficient in my experience. Best regards, Dirk. Am 29.04.2008 um 12:51 schrieb PhilEvans: I've not found it necessary to activate root. I've

Re: [ccp4bb] ccp4 install on Leopard

2008-04-29 Thread PhilEvans
I've not found it necessary to activate root. I've installed quite a lot of stuff in /usr/local but found it useful to make /usr/local belong to me (sudo chown -R /usr/local). With fink, I use sudo & not found it inconvenient (you can use "sudo -s" to go into admin mode until further notic

Re: [ccp4bb] ccp4 install on Leopard

2008-04-29 Thread James Stroud
On Apr 29, 2008, at 2:25 AM, Andreas Förster wrote: Why working with sudo is safer than working as root is not clear to me. After all, the danger is not in root but in the uneducated user. The danger *is* in root, if for no other reason than you must type "sudo" before you issue that comman

Re: [ccp4bb] ccp4 install on Leopard

2008-04-29 Thread Konrad Hinsen
On Apr 29, 2008, at 11:25, Andreas Förster wrote: Why working with sudo is safer than working as root is not clear to me. After all, the danger is not in root but in the uneducated user. If you're paranoid, you can keep using sudo until you get stuck and then switch to root. There are t

Re: [ccp4bb] ccp4 install on Leopard

2008-04-29 Thread Tim Gruene
Without having followed this thread, wouldn't the whole procedure you describe also work with 1. Open a terminal 2. type 'sudo passwd root' 3. Enter the current users password (to allow for the sudo-command) 4. Enter the new root password (twice) This should work under all versions of MacOSX.

Re: [ccp4bb] ccp4 install on Leopard

2008-04-29 Thread Andreas Förster
A few month's back, and a few moments before almost throwing my Powerbook out the window, I enabled the root account, as officially described (http://docs.info.apple.com/article.html?artnum=106290): How to enable the root user Mac OS X 10.5 or later 1. From the Finder's Go menu, choose Uti

Re: [ccp4bb] warp/arp 7.0.1 to really use the Free R flag

2008-04-29 Thread Anastassis Perrakis
Dear Jorge, I was unable to reproduce the error you report with 7.0.1. I selected an MTZ file, then chose 'use' FreeR flag and I run the job. I get: #CCP4I VERSION CCP4Interface 1.4.4.2 #CCP4I SCRIPT LOG arp_solvent #CCP4I DATE 29 Apr 2008 10:56:28 #CCP4I USER Tassos ... mtz labels taken: FP

[ccp4bb] Workshop HTP Crystallization and information Management June 2008

2008-04-29 Thread Patrick celie
REMINDER: A workshop entitled "HTP Crystallization and information Management" will be held on 18-20 June 2008 at NKI ,Amsterdam. This jointly sponsored workshop TEACH-SG and BIOXHIT is open to all applicants. The course will include lectures and practical session on HTP nano-crystallization, opt