[ccp4bb] Postdoc position at the Institute of Cancer Research, London

2008-04-21 Thread Richard Bayliss

Post Doctoral Training Fellow
Section of Structural Biology, The Institute of Cancer Research

The Institute of Cancer Research (a College of the University of  
London) is a world-class cancer research organization with HEFCE RAE  
ratings of international excellence across all of its research  
programmes. In partnership with The Royal Marsden NHS Foundation  
Trust, we form the largest comprehensive cancer centre in Europe,  
dedicated to research that extends from epidemiology, genetics and  
molecular biology, through drug discovery and development, to cancer  
diagnosis and patient treatment. This makes us uniquely placed to  
work towards our vision that people may live their lives free from  
the fear of cancer as a life threatening disease.


This Cancer Research UK Development Committee funded position will  
provide structural biology support for the hit-to-lead development of  
small molecule inhibitors of a protein kinase. The successful  
applicant will determine crystal structures of the kinase bound to  
small molecule inhibitors and contribute to the structure-based  
design of more potent, more specific inhibitors. The project will be  
carried out in the laboratory of Dr Richard Bayliss (Structural  
Biology), in collaboration with chemists at the Institute (Centre for  
Cancer Therapeutics), and the University of Newcastle.


Applicants must hold a PhD, or be close to completing their PhD  
studies, in biochemistry, molecular biology or structural biology. An  
ability to independently determine X-ray crystal structures of  
proteins is essential. Experience in high-throughput crystallography  
for drug discovery would be considered an asset.


The position is offered on a fixed term contract of up to two years  
in the first instance with a starting salary in the range £26,597 to  
£29,256 p.a. inclusive.


Informal enquires may be made to Dr Richard Bayliss (Tel: +44 (0)20  
7153 5557 / Email: [EMAIL PROTECTED]). Please DO NOT send  
your application to Dr Bayliss; CVs must be submitted in line with  
the instructions below.


For further particulars and details of how to apply, please visit our  
website at www.icr.ac.uk. Alternatively you may call our 24 hour  
recruitment line on 020 7153 5475 quoting reference number C137.


Closing date: 2 May 2008

The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company 
Limited by Guarantee, Registered in England under Company No. 534147 with its 
Registered Office at 123 Old Brompton Road, London SW7 3RP.

This e-mail message is confidential and for use by the addressee only.  If the 
message is received by anyone other than the addressee, please return the 
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Re: [ccp4bb] Installing coot on MacOSX 10.5

2008-04-21 Thread Chris Richardson

An update, in case this is still a burning issue for anybody.

The fink package maintainer for Ruby updated the package over the  
weekend.  Coot now builds fine from scratch on 10.4.11.  I haven't  
tested 10.5, but it should also be okay.


On 17 Apr 2008, at 20:23, Paul Emsley wrote:


The mind boggles as to why you'd need ruby to install Coot...


Ruby is a dependency of SWIG (in Fink, at least).

Chris
--
Dr Chris Richardson - sysadmin, Structural Biology Section, icr.ac.uk


The Institute of Cancer Research: Royal Cancer Hospital, a charitable Company 
Limited by Guarantee, Registered in England under Company No. 534147 with its 
Registered Office at 123 Old Brompton Road, London SW7 3RP.

This e-mail message is confidential and for use by the addressee only.  If the 
message is received by anyone other than the addressee, please return the 
message to the sender by replying to it and then delete the message from your 
computer and network.


Re: [ccp4bb] pH-ing Jeffamine ED-2001

2008-04-21 Thread Yogesh Gupta PhD
Hi Amit,

Changing the pH of Jeffamine is not so easy . I would keep the pH of
Jeffamine constant and rather change the pH of buffer. Anyway if Jeffamine
concentration is too low as compare to the buffer you are using, it would
not change the final pH much. This is what my experience with Jeffamine is.

Cheers,
Yogesh

On Mon, Apr 21, 2008 at 9:20 AM, amit sharma [EMAIL PROTECTED] wrote:

 Dear CCP4ers,

 Apologies for a non-CCP4 query. I intend to set up an optimization grid
 around one of the crystallization conditions (containing Jeffamine ED-2001pH
 7.0 and HEPES pH 7.0) by varying the buffer pH from 5.5 to 7.5. In such a
 case, is it recommmended that the pH of Jeffamine ED-2001(pH 7.0) also be
 changed to match the different buffer pHs(5.5-7.5)?

 Cheers,
 Amit






-- 
Yogesh K. Gupta, Ph.D.
Post Doctoral Fellow
Molecular Physiology  Biophysics
Mount Sinai School of Medicine
1425, Madison Av. (East Bldg. 16-26)
Box 1677, New York, NY 10029-6574

Tel:+1 212-659-8639
Fax:+1 212-849-2456
E-mail: [EMAIL PROTECTED]
-


[ccp4bb] hydrodynamic radius from atomic coordinates

2008-04-21 Thread Michael Colaneri
Dear colleagues,

Does anyone know of a program to calculate hydrodynamic radius of a protein
from atomic coordinates?

Thanks.

Mike Colaneri


[ccp4bb] Kay Diederichs and Novel_R source?

2008-04-21 Thread David J. Schuller
I would like to get a hold of the program Novel_R, the source code for
which is supposed to be available on Kay Diederichs' web site. However,
the links I have seem to be outdated. Does Diederichs have a new web
site, and is the Novel_R source still available?

The outdated link:
http://strucbio.biologie.uni-konstanz.de/~kay

Thanks,

-- 
===
With the single exception of Cornell, there is not a college in the
United States where truth has ever been a welcome guest - R.G. Ingersoll
===
  David J. Schuller
  modern man in a post-modern world
  MacCHESS, Cornell University
  [EMAIL PROTECTED]


Re: [ccp4bb] hydrodynamic radius from atomic coordinates

2008-04-21 Thread Alessandro Nascimento
I guess Hydro fits your needs:

http://www.biophysj.org/cgi/content/abstract/67/2/530

http://www.sciencedirect.com/science?_ob=MImg_imagekey=B6TFB-3V5N9WY-2W-M_cdi=5222_user=5674961_orig=search_coverDate=08%2F24%2F1998_sk=999259997view=cwchp=dGLbVlb-zSkWWmd5=89c6e850ab49c3ecac6c19ec00414525ie=/sdarticle.pdf

and finally

http://leonardo.fcu.um.es/macromol/programs/programs.htm

HTH,

--asn

On Mon, Apr 21, 2008 at 7:43 PM, Michael Colaneri [EMAIL PROTECTED] wrote:
 Dear colleagues,

 Does anyone know of a program to calculate hydrodynamic radius of a protein
 from atomic coordinates?

 Thanks.

 Mike Colaneri



-- 
[ ]s

--alessandro


Re: [ccp4bb] Kay Diederichs and Novel_R source?

2008-04-21 Thread Juergen Bosch

David J. Schuller wrote:


I would like to get a hold of the program Novel_R, the source code for
which is supposed to be available on Kay Diederichs' web site. However,
the links I have seem to be outdated. Does Diederichs have a new web
site, and is the Novel_R source still available?

The outdated link:
http://strucbio.biologie.uni-konstanz.de/~kay

Thanks,

 


Try here:

http://strucbio.biologie.uni-konstanz.de/strucbio/index.php?article_id=53clang=0

Juergen

--
Jürgen Bosch
University of Washington
Dept. of Biochemistry, K-426
1705 NE Pacific Street
Seattle, WA 98195
Box 357742
Phone:   +1-206-616-4510
FAX: +1-206-685-7002
Web: http://faculty.washington.edu/jbosch


[ccp4bb] density_modify.inp is not running in cns1.2 but runs in cns1.1

2008-04-21 Thread Raja Dey
Hi All,  I am trying to run density_modify.inp in cns 1.2. it stops 
with the error enclosed below. But, it runs with cns 1.1 perfectly. I am using 
the same two data files(e.g. p65_se_rdey.hkl.cv and combine.hkl). Does anyone 
have experience like this? Any solution is well appreciated. 
Regards...
Raja


ANOMalous=TRUE {ON}
 Program version= 1.2 File version= 1.2
 %XMAPASU-AUTOmem: increasing memory allocation to200
 Minimum brick that covers asymmetric unit:
   A= 0,...,64  B= 0,...,64  C= 0,...,25
 Sum of  5287 elements =  5287.
 SHOW: average of102400 elements= 0.
 ANOMalous=TRUE {ON}
 XMPST: average =   0.  minimum =   0.  maximum =   0.
 XMPST: r.m.s.  =   0. norm =   0.
 XMHISTO: (default from map) RHOMIN and RHOMAX =   0.   0.
 %XMHISTO-ERR:  a complete flat map.
 XMHISTO: (default from map) SLOT width =  0.00
 %XMHISTO-ERR: the SLOT width is too small   0.0
 XMHISTO: the number of slots MBINS=1 and width SLOT=   0.
 %XDOTYPE-ERR: Variable/type mismatch:
  do (masksol=1) (real(automap) = $cutoff)
  ^
 %DO-ERR: Data type mismatch.  Selection must be a logical expression.:
  do (masksol=1) (real(automap) = $cutoff)
  ^
 %SHOW error encountered: There were errors in DO expression.
   (CNS is in mode: SET ABORT=NORMal END)
 *
 ABORT mode will terminate program execution.
 *
 Program will stop immediately.
  
   Maximum dynamic memory allocation:18336916 bytes
   Maximum dynamic memory overhead:   360 bytes
   Program started at  : 18:01:44 on 21-Apr-2008
   Program stopped at  : 18:01:46 on 21-Apr-2008
   CPU time used   :   1.9700 seconds
   Total runtime   :   0. seconds


   Program compiled by David Gohara




Regards... 
Raja 







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