[ccp4bb] Error running CCP4i on CCP4 6.1

2009-01-06 Thread Francisco J. Enguita
Dear All : I have installed CCP4 6.1 on a linux box. Everything seems to be OK. When I try to run CCP4i I got the following error : /usr/local/ccp4_6.1/tcltk++/bin/bltwish: error while loading shared libraries: libtk8.4.so: cannot open shared object file: No such file or directory It looks that

Re: [ccp4bb] Error running CCP4i on CCP4 6.1

2009-01-06 Thread Winter, G (Graeme)
Dear Francisco, Is this directory in your load library path? I assume not, given your error, which suggests you need to source the ccp4-others.setup from setup-scripts file appropriate for your shell - this sets up the paths etc. for everthing which is not actually ccp4. Best wishes, Graeme

Re: [ccp4bb] Coot save file error under Mac OSX

2009-01-06 Thread Paul Emsley
Albert Guskov wrote: Dear all, I've installed coot with fink, everything works fine, except the fact I can not solve results of my work (that makes it totally senseless ;-)) The error I get is Gtk-WARNING **: Unable to find default local directory monitor type Could someone point me out what is

[ccp4bb] Mac pro

2009-01-06 Thread Sheemei
Dear all, I am thinking of getting a apple Mac pro desktop computer. I was wondering does all crystallography programs run on it? I think there are Mac OSX version of CCP4, CNS, SHELX etc. But how about programs in the Uppsala software factory etc?. Also is it difficult to install these

[ccp4bb] Coot save file error under Mac OSX

2009-01-06 Thread Albert Guskov
Dear all, I've installed coot with fink, everything works fine, except the fact I can not solve results of my work (that makes it totally senseless ;-)) The error I get is Gtk-WARNING **: Unable to find default local directory monitor type Could someone point me out what is wrong? Kind regards,

Re: [ccp4bb] Mac pro

2009-01-06 Thread David Briggs
Hi Sheemei. The majority of crystallography programs run under osx, including the Uppsala software factory stuff. Installation has always been very straight forward for me. Bill Scott's webpages will have everything you need to get started. http://sage.ucsc.edu/xtal/ Cheers, David 2009/1/6

[ccp4bb] POSTDOCTORAL POSITION IN X-RAY CRYSTALLOGRAPHY AT CEA SACLAY

2009-01-06 Thread Enrico Stura
POSTDOCTORAL POSITION IN X-RAY CRYSTALLOGRAPHY AT CEA SACLAY Position Description: The department of molecular engineering of proteins (SIMOPRO) CEA Saclay, near Paris, France (Head of the Department: Vincent DIVE) has an immediate career opportunity for a highly motivated and experienced

Re: [ccp4bb] Mac pro

2009-01-06 Thread JBosch
Hi Sheemel, I assume you are waiting for today's announcements of the i7 core MacPro's ? If not wait another 6 hours before deciding to buy something. Jürgen On 6 Jan 2009, at 06:27, Sheemei wrote: Dear all, I am thinking of getting a apple Mac pro desktop computer. I was wondering does

Re: [ccp4bb] problem about BALBES

2009-01-06 Thread Xiang Liu
I just see the mail, I'd try my best to solve this problem. Maybe I'll try the web server later. Thanks for Dr.Long, Dr Zwart and all the people here. Xiang Liu the fourth year Ph.D candidate lab of structural biology, college of life science Peking University, Beijing, P.R.China 100871

[ccp4bb] Partially ordered side-chains and electrostatics

2009-01-06 Thread cockburn
Dear all, When you calculate the electrostatic potential surface for a protein, what is the best way to treat charged residues with disordered or partially ordered side-chains, e.g. surface lysines? Do you just treat them as alanines? Thanks, Joe

Re: [ccp4bb] Mac pro

2009-01-06 Thread Derek Logan
I was much more enticed by the proposition of the MacBook Wheel: http://www.theonion.com/content/video/apple_introduces_revolutionary Get your orders in now - there's reportedly a 3-15 month waiting time... Derek ;-) On Jan 6, 2009, week2, at 13:14, JBosch wrote: Hi Sheemel, I assume you

[ccp4bb] Fwd: Twinning

2009-01-06 Thread Stephen Hare
Dear All, We are currently working on a structure of apparent P21 symmetry which has been solved by molecular replacement. The data are to 2.7Å but the Rfree will not drop below 30%. The density is clear for the model we have, however there is extra density that suggests a shift of the

[ccp4bb] Reminder: Please apply to the BNL-Biology and NSLS Course on Synchrotron Data Collection

2009-01-06 Thread Robert Sweet
We are offering RapiData 2009, the eleventh offering of our popular course: Rapid Data Collection and Structure Solving at the NSLS: A Practical Course in Macromolecular X-Ray Diffraction Measurement The course will be held 19-24 April 2009. Students could be at any level from

Re: [ccp4bb] Mac pro

2009-01-06 Thread Phil Jeffrey
The Mac Pro is what I use for all my crystallography calculations. The vast majority of programs run, the one major sticking point being the older version of HKL but I believe that HKL2000 may well run on OSX now. I use XDS and/or MOSFLM if I want to reprocess on this machine. With most

[ccp4bb] A senior research scientist position at the Marine Biological Laboratory in Woods Hole, MA, USA

2009-01-06 Thread M Huang
A senior research scientist position is available at the Marine Biological Laboratory in Woods Hole MA to continue our study on the crystal structures of blood coagulation proteins, particularly Factor VIII (Structure. 2008;16:597-606). This is the protein missing in hemophilia. The candidate

Re: [ccp4bb] Mac pro

2009-01-06 Thread Sabuj Pattanayek
with Unix on the Mac. There are also options for virtualization of Windoze and Linux via the software Parallels although I have yet to test this out. If you're trying to purchase a Mac so that you can run MS Office or other Windows only products without dual booting this is no longer

Re: [ccp4bb] Mac pro

2009-01-06 Thread Harry Powell
Hi I use Parallels on my Mac at home for both Windows XP and Ubuntu - it works fine for me when running the more number-crunching parts of CCP4 - haven't really looked at graphics programs like Coot MG. At work I'm running VMWare (Workstation 6.0.0) on a Linux box for Vista, and that,

Re: [ccp4bb] Mac pro

2009-01-06 Thread Warren DeLano
I've heard anecdotal evidence that VMWare Fusion is better, but I've only used the Linux version. As a heavy user of both products under Mac OS X on an eight-core Mac Pro, I find VMWare to be far more robust and feature rich than Parallels. Regardless, only Parallels supports 3D OpenGL

Re: [ccp4bb] Mac pro

2009-01-06 Thread Nathaniel Echols
There are also options for virtualization of Windoze and Linux via the software Parallels although I have yet to test this out. Parallels is okay; I only use it for testing GUI code on Linux. It doesn't support multiple processors, which probably isn't necessary for most people. The

Re: [ccp4bb] Fwd: Twinning

2009-01-06 Thread Ethan Merritt
On Tuesday 06 January 2009 08:35:19 Stephen Hare wrote: Dear All, We are currently working on a structure of apparent P21 symmetry which has been solved by molecular replacement. The data are to 2.7Å but the Rfree will not drop below 30%. The density is clear for the model we have,

Re: [ccp4bb] Mac pro

2009-01-06 Thread Sabuj Pattanayek
I assume you are waiting for today's announcements of the i7 core MacPro's ? If not wait another 6 hours before deciding to buy something. hrmm, I was hoping store.apple.com was down due to modifications for this new item, it's back up but no new i7 mac pro ..

[ccp4bb] imosflm in ccp4 6.1.0 in linux problems

2009-01-06 Thread Salgado, Paula
Hi everyone I've been trying to run the new imosflm version from ccp4i 6.1.0 gui on ubuntu 8.0.4, but keep having problems. After struggling with it to search for the correct MOSDIR directory path, it then complained it was missing several packages from wish8.4. I did manage to find some of

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

2009-01-06 Thread William G. Scott
The ActiveTcl distribution can be installed anywhere, eg /opt Then point imosflm to the wish binary in that. William G. Scott (via iPod and gmail -- forgive the typos and brevity) Please reply to wgsc...@chemistry.ucsc.edu On Jan 6, 2009, at 3:03 PM, Salgado, Paula p.salg...@imperial.ac.uk

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

2009-01-06 Thread William Scott
Hi Paula: Here is more info: http://sage.ucsc.edu/~wgscott/xtal/wiki/index.php/CCP4-6.1.0_on_Ubuntu_Ibex (There is no reason why you would have to do step 1.) Sorry, but I couldn't figure out how to append the link using my iPod while undergoing mind-numbing boredom in an interminable

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

2009-01-06 Thread William Scott
On Jan 6, 2009, at 7:10 PM, William Scott wrote: (There is no reason why you would have to do step 1.) Sorry, that should have been no reason ... to do step THREE.

Re: [ccp4bb] Fwd: Twinning

2009-01-06 Thread Lijun Liu
This is an interesting case but your description lacked the diffraction part. Assuming no Heavy Atom sites in the native structure. Based on your description, another possibility may be Lattice Translocation. - Ref: J. Wang, S. Kamtekar, A. J. Berman and T. A. Steitz.