[ccp4bb] phaser openmp

2011-08-19 Thread Jochen Kuper
Dear all,


it would be really great if someone could point out to me how to enable the 
openmp option for phaser during the compilation of  the latest ccp4 release. 

The system will be a SUSE 11.3 64bit using gcc. 

Cheers,

Jochen


-
Dr. Jochen Kuper
Rudolf Virchow Center for Biomedical Research
Josef Schneider Strasse 2, Haus D15
97080 Wuerzburg
+49 (0) 9313180391
jochen.ku...@virchow.uni-wuerzburg.de








[ccp4bb] TLS from PDB records

2011-02-03 Thread Jochen Kuper
Dear All,


sorry for the probably silly question but the matter is somewhat urgent and I 
cant seem to find an appropriate solution ...


I need to pull out the TLS params for a deposited pdb with partial B and use 
those parameters to calculate the total B factor. My problem is that I cant 
find a program that reads those params and puts them in a format TLSANL can 
read. 

I am probably missing something obvious here 


Many thanks in advance.


Cheers,

Jochen

 
-
Dr. Jochen Kuper
Rudolf Virchow Center for Biomedical Research
Josef Schneider Strasse 2, Haus D15
97070 Wuerzburg
+49 (0) 9313180391
jochen.ku...@virchow.uni-wuerzburg.de







[ccp4bb] PhD position at the Rudolf Virchow Center

2010-12-17 Thread Jochen Kuper
We are looking for a highly motivated PhD student in the field of  
structural biology of nucleotide excision DNA repair proteins. The  
position can be filled immediately and is funded for 3 years.


The successful applicant will study the damage verification steps in  
prokaryotic and eukaryotic nucleotide excision repair by investigating  
relevant protein-DNA complexes  at the molecular level. The Kisker lab  
is part of the Rudolf Virchow Center for Biomedical Research, a  
federally funded center of excellence. We offer a collaborative  
environment, state of the art equipment and excellent training  
opportunities within the context of an international graduate school.



Informal enquiries should be directed to  
caroline.kis...@virchow.uni-wuerzburg.de

Applications should be directed to petra.lue...@virchow.uni-wuerzburg.de


-
Dr. Jochen Kuper
Rudolf Virchow Center for Biomedical Research
Josef Schneider Strasse 2, Haus D15
97070 Wuerzburg
+49 (0) 9313180391
jochen.ku...@virchow.uni-wuerzburg.de


[ccp4bb] fail to install ccp4i task for arp warp

2010-08-31 Thread Jochen Kuper
Dear All,


sorry to bother you with this but I just can't figure out what goes wrong ...

I am running the latest version of snow leopard on a MBP unibody with the 64bit 
kernel.

I have an up to date fink installation for native 64bit. 

With this I have installed ccp4 via fink. I have also installed the latest arp 
warp version (7.1). Both are running nicely individually  ...

The thing now is that I cannot install the arp warp task in ccp4i. Neither via 
the original arp warp installation which says it is successful but no tasks 
show up nor via the ccp4i interface which always ends up with:

UnpackTaskArchive: uncompress failed to create 
/tmp/install_ARP_wARP_CCP4I6/ARP_wARP_CCP4I6.tar
ExamineTaskArchive: failed to unpack temporary copy of 
/Users/joka/software/arp_warp_7.1/ARP_wARP_CCP4I6.tar.gz

Needless to say that the packages unpack just fine when I try this without the 
interface using the same uncompress binary. It does not make a difference 
whether I use ccp4i with sudo, su or login as root.

I am running out of options here and would really appreciate a hint in the 
right direction ...

I have found this in the ccp4bb

http://www.mail-archive.com/ccp4bb@jiscmail.ac.uk/msg10117.html

but that does not really help.


Cheers,

Jochen 


 
-
Dr. Jochen Kuper
Rudolf Virchow Center for Biomedical Research
Josef Schneider Strasse 2, Haus D15
97070 Wuerzburg
+49 (0) 9313180391
jochen.ku...@virchow.uni-wuerzburg.de







[ccp4bb] Job offer at Rudolf Virchow Center

2009-05-27 Thread Jochen Kuper

Computer scientist


We are looking for a computer scientist at the level of a postdoc for  
the structural biology groups at the Rudolf Virchow Center for  
Experimental Medicine at the University of Wuerzburg, Germany. The  
Rudolf Virchow Center is a specially funded center of excellence by  
the German Research Council and provides an excellent work environment  
and infrastructure. The position will be offered initially for four  
years with the possibility of extension. The salary will be according  
to the rate E13 of the german government service, depending on  
qualification.



The person would be responsible for the maintenance of the software  
and hardware related to research in structural biology and would also  
be actively involved in research projects. The following  
qualifications are preferred:


-experience with Unix/Linux system administration

-experience in network administration

-experience in shell scripting

-knowledge in Fortran/C

-experience with Macs and PCs

Please send your application via e-mail to perso...@virchow.uni-wuerzburg.de 
  or by mail to Rudolf-Virchow-Zentrum, Petra Lütke, Versbacher  
Straße 9, 97078 Würzburg



For informal enquiries please contact Caroline.Kisker(at)virchow.uni- 
wuerzburg.de


-
Dr. Jochen Kuper
Rudolf Virchow Center for Biomedical Research
Versbacher Str. 9
97078 Wuerzburg
+49 (0) 93120148303
jochen.ku...@virchow.uni-wuerzburg.de