Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-07 Thread Winter, G (Graeme)
Dear Paula, The tcltk++ binary either from the downloads pages or ftp://ftp.ccp4.ac.uk/ccp4/current/extras should work fine - if you unpack this somewhere, export CCP4I_TCLTK appropriately and add the lib directory to the LD_LIBRARY_PATH it should solve your problem. If you would like more

Re: [ccp4bb] Fwd: Twinning

2009-01-07 Thread Isupov, Michail
Dear Steve, Presence of several Patterson peaks at impossible (as far as crystal packing is concerned) distances and an NCS two-fold normal to the crystallographic one suggests it could be an order-disorder (OD) structure, like the one we had in Exeter. An order-disorder twin crystal of

[ccp4bb] nVidia Quadro FX3000 on Ubuntu 8.10

2009-01-07 Thread Chris Ulens
Hi, I'm trying to install a nVidia Quadro FX3000 card on a PC running Ubuntu 8.10 intrepid. I run into the following error when I install drivers I downloaded from the nVidia site: The installer fails to find a kernel interface from the nvidia ftp site and fails to compile the kernel.

Re: [ccp4bb] nVidia Quadro FX3000 on Ubuntu 8.10

2009-01-07 Thread Partha Chakrabarti
Chris, Try this: sudo apt-get install envyng sudo apt-get install envyng-gtk fire the envyng-gtk interface from the command line or menu and see if it finds a solution.. HTH, Partha On Wed, Jan 7, 2009 at 10:49 AM, Chris Ulens chris.ul...@med.kuleuven.be wrote: Hi, I'm trying to install a

Re: [ccp4bb] Fwd: Twinning

2009-01-07 Thread Andreas Förster
Hey Stephen, how about simply putting three models, separated by 16A, into your original unit cell and refining them together. You'd have to guess their fractional occupancies from the heights of the Patterson peaks (and make them add up to one, obviously). This approach (in contrast to

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-07 Thread Harry Powell
Hi folks We have had a good look at this at Mosflm HQ now on Linux. The CCP4 TclTk++ distribution seems to work okay, and there's no need to install the ActiveTcl version to run iMosflm. It seems that if you use the CCP4 instructions on the wiki

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-07 Thread Phil Evans
What is this ccp4-others.setup? I don't have it in my working 6.1.0 installation (built from source) Phil On 7 Jan 2009, at 11:50, Harry Powell wrote: Hi folks We have had a good look at this at Mosflm HQ now on Linux. The CCP4 TclTk++ distribution seems to work okay, and there's no

Re: [ccp4bb] nVidia Quadro FX3000 on Ubuntu 8.10

2009-01-07 Thread Tim Gruene
This usually means that you have to install the header files for your kernel. They come in a separate package, but I don't know its name for Ubuntu. The Debian package is called linux-headers-$(uname -r) (where 'uname -r' issued at the command line returns the version of the current kernel),

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-07 Thread Harry Powell
Hi Sorry - just noticed that ccp4-others.setup doesn't seem to be in the source distribution, just in the binary distro. My assumption is that if you build from source (or install the Mac OS X binary installation) , it's not necessary. On 7 Jan 2009, at 11:54, Phil Evans wrote: What is

Re: [ccp4bb] nVidia Quadro FX3000 on Ubuntu 8.10

2009-01-07 Thread Chris Ulens
Thanks envyng did the trick, but the emitter doesn't light up when I run pymol or coot. There's also no stereo sync on the screen. I've installed driver version 173.14.12 Thanks. -Chris On 07 Jan 2009, at 11:54, Partha Chakrabarti wrote: Chris, Try this: sudo apt-get install envyng sudo

Re: [ccp4bb] nVidia Quadro FX3000 on Ubuntu 8.10

2009-01-07 Thread Mark Brooks
Hi, In Ubuntu the use of Nvidia drivers is very slick, or should be. https://help.ubuntu.com/community/BinaryDriverHowto/Nvidia Go to the System menu, then: System - Administration - Hardware Drivers A window opens up which then searches for proprietary drivers, and propose that you use Nvidia

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-07 Thread Winter, G (Graeme)
Hi Phil, ccp4.setup sets up ccp4, ccp4-others.setup sets up everything else, like tcltk etc. This layout relates to the way the downloads pages tar up the download... Cheers, Graeme -Original Message- From: CCP4 bulletin board on behalf of Phil Evans Sent: Wed 1/7/2009 11:54 AM To:

[ccp4bb] New ligand and link interface

2009-01-07 Thread Garib Murshudov
Dear All Happy new year to you all!! JLigand is a java application which allows ligands to be linked on- screen and a link description to be created. JLigand 0.1 Beta is now available at http://www.ysbl.york.ac.uk/~pyoung/JLigand/JLigand.html There is a documentation how to use JLigand

Re: [ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-07 Thread John M. Berrisford
Does sourcing the ccp4-others.setup' (which doesn't appear in the linux binary distribution which i've installed - very strange) correct the location of the BLT_LIBRARY in configure.def file stored .CCP4 in the users home directory. My configure.def file had a link to an old version of the blt

Re: [ccp4bb] nVidia Quadro FX3000 on Ubuntu 8.10

2009-01-07 Thread Pete Meyer
FYI, the distribution drivers work fine on our systems with the X4600 (stereo and everything). Pete Chris Ulens wrote: Hi, I'm trying to install a nVidia Quadro FX3000 card on a PC running Ubuntu 8.10 intrepid. I run into the following error when I install drivers I downloaded from the

[ccp4bb] imosflm fails on suse

2009-01-07 Thread Sabine Schneider
Hi everyone, Also got a imosflm problem - I installed the ccp4-6.1.0 before Xmas. Downloaded the binaries and installed it using the install script. (both setup-files are sourced in my .bashrc file). All programs I tried so far worked fine. But if I try to start imosflm (from the gui or the

Re: [ccp4bb] imosflm fails on suse

2009-01-07 Thread Winter, G (Graeme)
Hi Sabine, Although the GUI may still work, iMosflm needs a number of other odds and ends which should be included with tcltk++ - if you asked for these as part of the download it should work at least from the command line - are you using the same tcl/tk/blt from 6.0.2? If so the easiest thing

[ccp4bb] POSTDOCTORAL POSITION IN X-RAY CRYSTALLOGRAPHY in La Jolla, California

2009-01-07 Thread Dirk M. Zajonc
POSTDOCTORAL POSITION IN X-RAY CRYSTALLOGRAPHY We are looking for a qualified and highly motivated biochemist/ protein crystallographer with 0-2 years of postdoctoral experience to work on the structural characterization of antibody-antigen complexes involved in infectious diseases and

[ccp4bb] Characterization of Protein Conformational Changes

2009-01-07 Thread Jacob Keller
Dear Crystallographers, I am sure that most here have dealt with the issue, when making superpositions of conformationally-different structures, of which regions to align as references and which to call mobile. Conformational changes can range from very local (e.g., unwinding of a helix) to

[ccp4bb] position available

2009-01-07 Thread Spiller, Benjamin
Dear CCP4 Users, We have an opening for one federally funded post-doctoral or staff scientist position for a structural biologist to study bacterial voltage-gated sodium channels. The ideal candidate will be self-motivated, creative, organized, and experienced in crystallography. The lab

Re: [ccp4bb] Characterization of Protein Conformational Changes

2009-01-07 Thread Nathaniel Echols
On Wed, Jan 7, 2009 at 1:54 PM, Jacob Keller j-kell...@md.northwestern.edu wrote: I am sure that most here have dealt with the issue, when making superpositions of conformationally-different structures, of which regions to align as references and which to call mobile. Conformational changes can

[ccp4bb] ARP/wARP Solvent

2009-01-07 Thread Matthew Chu
Dear all, I tried to use ARP/wARP 7.0.1 GUI for solvent building, however it couldn't recognize my ligand library file (.cif), which works fine in refmac refinement. Apparently, the error message is: === Error: New ligand has been encountered. Stopping now Refmac_5.2.0019: New ligand has been

Re: [ccp4bb] Characterization of Protein Conformational Changes

2009-01-07 Thread Tom Burnley
This sounds like a job for a DDM (difference-distance matrix). This method can detect very subtle conformational changes between a pair of protein structures without performing a structural alignment. Once the areas of change have been identified a traditional alignment can be performed using

Re: [ccp4bb] ultrafiltration/buffer exchange device for insect cell cultures

2009-01-07 Thread Dean Madden
As an alternative to the Pellicon system, Millipore also makes PrepScale TFF cartridges (http://www.millipore.com/techpublications/tech1/ef063). Unlike the Pellicon, they are sealed units, but like the Pellicon membranes, they are true tangential-flow devices and can be reused many times

[ccp4bb] error in startup of ccp4i 6.1

2009-01-07 Thread Guenter Fritz
Dear all, I have installed precompiled ccp4 61 (Redhat from download manager) on Centos5 box, X86_64. Running ccp4i gives: [guen...@hypatia ~]$ ccp4i Top level CCP4 directory is /usr/local/software/CCP4/61/ccp4-6.1.0 Using CCP4 programs from /usr/local/software/CCP4/61/ccp4-6.1.0/bin Error in

Re: [ccp4bb] Characterization of Protein Conformational Changes

2009-01-07 Thread JBosch
You can abuse/mis-use the TLSMD server from Ethan to analyse domain movements and draw your conclusions accordingly, see here http://skuld.bmsc.washington.edu/~tlsmd/ Jürgen On 7 Jan 2009, at 16:54, Jacob Keller wrote: Dear Crystallographers, I am sure that most here have dealt with the

[ccp4bb] Affordable 3D LCD Arriving Soon

2009-01-07 Thread James M. Vergis
I came across an article about Samsung's $400 3D LCD monitor coming out in April so I thought I'd pass it on for those who may be interested. http://www.engadget.com/2009/01/07/samsung-officially-introduces-2233rz-the-22-inch-3d-panel-for-g/ I'm pretty sure their 3D implementation is

[ccp4bb] 2D

2009-01-07 Thread Vin Purp
Sorry for the non ccp4 related post. Can anyone point me in the direction of a good method, reference or link for improving 2D xtals? They are hexagonal 2D plates, and some have a tendency to stack. Cheers. =v=

Re: [ccp4bb] ARP/wARP Solvent

2009-01-07 Thread Gerrit Langer
Dear Matt, have you tried the 'input a user-defined library file' check box under 'refmac parameters' in the gui? Else try the keyword 'extralibrary' when using the 'auto_solvent.sh' script from the command line. Both options define a string 'LIB_IN mylib.cif' that is passed on to refmac.

Re: [ccp4bb] 2D

2009-01-07 Thread mesters
It mostly means little intermolecular contacts in one direction because of charge repulsion, shape incomplementarity etc etc. One thing to try is screen for additives that can help to make more contacts between the layers or, screen for new crystal forms using microseed matrix screening! -