Re: [ccp4bb] CCP4 6.3.0 PBS/qsub configuration

2013-07-02 Thread Francois Berenger
You need to source the CCP4 config file. At my site: # for Bash source /usr/local/src/ccp4/ccp4-6.3.0/setup-scripts/ccp4.setup-sh I guess that would be the first command in the script you send to your cluster via qsub. Regards, F. On 07/02/2013 11:55 PM, AFL wrote: Dear Group Members, I'm

[ccp4bb] phaser 2.5.2 in ccp4 6.3.0 does not output Hendrickson Lattman coefficients

2013-07-02 Thread Petr Leiman
I have just found out that phaser v. 2.5.2 in ccp4 6.3.0-021 does not output columns with HL coefficients. I cannot find a combination of buttons in CCP4i GUI to enable this extremely useful feature. This is the first time I tried phaser in the latest CCP4 release and I am shocked this problem

Re: [ccp4bb] off topic: good peak on gel filtration

2013-07-02 Thread Gloria Borgstahl
In our lab we do DLS on the SEC fractions and only set up those that are monodisperse :-) On Mon, Jul 1, 2013 at 7:37 PM, El Arnaout, Toufic < elarnao...@biochem.wustl.edu> wrote: > Hello Peter, > In addition to the great comments/details, please check the following > points I have now in mind.

[ccp4bb] CCP4 6.3.0 PBS/qsub configuration

2013-07-02 Thread AFL
Dear Group Members, I'm attempting to configure CCP4 installation for the batch job submission and have encountered numbers of problems. The one that is currently haunting me is the error message: can't read "CCP4I_TCLTK": no such variable while executing "exec $CCP4I_TCLTK/tclsh "$0" -

[ccp4bb] Split Crystal Dataprocessing

2013-07-02 Thread RHYS GRINTER
Hi All, I collected some data on the weekend on forked crystal, I collected data on this crystal at the base before the crystal split into two. The crystal didn't stand up well to the radiation damage so I shot a number of places along the crystal and got maybe 45 degrees of good data per positi

Re: [ccp4bb] CNS download Info

2013-07-02 Thread Tim Gruene
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Dear Syed, did you write to Axel Brunger or did you use the online form (http://cns-online.org/cns_request/)? Regards, Tim On 07/02/2013 01:39 PM, syed ibrahim wrote: > Dear All Sorry to bother you by writing about CNS here. I am trying > to contact

[ccp4bb] CNS download Info

2013-07-02 Thread syed ibrahim
Dear All Sorry to bother you by writing about CNS here. I am trying to contact Brunger to get the downlad information throguh my official id. Yet I am not getting any response. Could any one help? Thanks in advance Syed

[ccp4bb] Postdoc position, Stockholm University, metalloprotein structure and function

2013-07-02 Thread Matthew Bennett
The Högbom lab at the Department of Biochemistry and Biophysics, Stockholm University has an immediate opening for a postdoctoral researcher in the area of metalloprotein structure and function. This position is available for a period of two years. We study a number of proteins that utilize met