[ccp4bb] CCP4MG version 2.7

2012-12-20 Thread Stuart McNicholas

Dear all,
  Version 2.7 of CCP4MG is now available for download from:

http://www.ccp4.ac.uk/MG/download/

The complete list of changes is give below.

Best wishes,
CCP4MG team.


 *   OpenGL (graphics window use of hardware):
Shadows. (Display-Lighting-Shadows check-box).
Occlusion lighting effect (buried objects are darker than
than exposed ones).
Object outlines (edge detection).
Shaders working on older (HD3000 series) ATI/AMD cards.
Program runs again on Microsoft reference OpenGL 1.1.
Fixes for some Windows startup problems.
Slighty faster transparency.
Text can have a background colour.
Text can fade with fog.
Speed improvements on Windows.
Screenshots up to 8000x8000 pixels on most systems.
 *   Status files:
Portability improvements for status files.
Fix saving data files in presentations/archives.
Unicode filename fixes.
 *   Symmetry:
Contacts in Crystal symmetry method.
Symmetry can be on/off for individual display objects;
can ignore central symmetry mate.
 *   User interface:
Improvements to PISA interface.
Speed up sequence viewer when there are many structures/chains.
Clicking on an atom which is labelled from a previous click
unlabels it.
Atom selections can be given names.
Restore the run Coot feature.
 *   Vibrations module (normal modes):
Clicking on a mode in Vibrations when another is already
running will switched to the clicked one. Generally more
expected behaviour in this GUI.
Show theoretical b-values button labels plots much more
informatively.
 *   Picture wizards:
Many picture wizards now draw something more sensible by
default: broken ribbons are complete ribbons if no range for
break is specified; multi-model CA trace works with one model.
Wizards support Crystal and View objects.
New way of generating complex scenes with electron density
using new XML scene description + new picture wizards.
Currently only in batch mode and undocumented.
 *   Object drawing styles:
Edges of ribbons can be coloured grey (colour will be
user-specified in 2.7.1).
User can specify degree of which loop-shortening effect.
Fix drawing of some bonds, e.g. S-S  2.2 angstroms.
Ribbon representation of cyclic polypeptides wraps around on
itself correctly.
On-screen display of bond/dihedral angles in Geometry mode.
Fixes for slice and mask density representations.
Geoemtry labels behave better on black background.
 *   Other:
Symmetry colours fixed in Render module.
Fix crash in Geometry module.
Cope with multiple mtz files on command line.
Work with CCP4 6.3.0 libraries and PISA.
Install Windows VC++ redistributable package on Windows to fix
compatibility with some versions of Windows.


[ccp4bb] Today ...

2012-12-20 Thread Phil Evans
… is 20.12.2012

Happy Christmas everyone!

Phil

Re: [ccp4bb] Today ...

2012-12-20 Thread James Foadi
Thank you, Phil!
The same to you!

J


 
Dr James Foadi PhD
Membrane Protein Laboratory
Diamond Light Source Ltd.
Diamond House
Harwell Science and Innovation Campus
Didcot
Oxfordshire
OX11 0DE
United Kingdom


office email: james.fo...@diamond.ac.uk
alternative email: j.fo...@imperial.ac.uk


personal web page: http://www.jfoadi.me.uk



 From: Phil Evans p...@mrc-lmb.cam.ac.uk
To: CCP4BB@JISCMAIL.AC.UK 
Sent: Thursday, 20 December 2012, 11:50
Subject: [ccp4bb] Today ...
 
… is 20.12.2012

Happy Christmas everyone!

Phil

Re: [ccp4bb] Today ...

2012-12-20 Thread Mark J van Raaij
and 8 days ago it was 121212, the mirror image of 212121, one of our favourite 
spacegroups.



On 20 Dec 2012, at 12:50, Phil Evans wrote:

 … is 20.12.2012
 
 Happy Christmas everyone!
 
 Phil


[ccp4bb] Ph.D. position at Lund University

2012-12-20 Thread Derek Logan
A 4-year PhD position is available in the groups of Dr. Derek Logan and Prof. 
Ulf Ryde at the Dept. of Biochemistry and Structural Biology and the Dept. of 
Theoretical Chemistry at Lund University, Sweden. The project is sponsored by 
the European Spallation Source and will also involve the participation of ESS 
scientists. 

The PhD student will work on structural and theoretical studies of 
protein-ligand interactions, using the carbohydrate binding protein galectin-3 
as a model system. Structural studies will be conducted principally using 
neutron crystallography in combination with X-ray crystallography at very high 
resolution ( 0.9 Å). The work will include production of crystals of suitable 
size for neutron diffraction, data collection at various neutron sources around 
the world, processing and modelling. The theoretical studies will be conducted 
in Ulf Ryde's group at Theoretical Chemistry. We will develop methods to 
combine crystallographic refinement and quantum mechanical calculations. In 
addition, we perform molecular dynamic simulations and estimates of binding 
affinities using free-energy perturbation. The project is part of a larger 
network at Lund University including organic chemists, medical scientists and 
NMR experts, dedicated to a fundamental understanding of protein-ligand 
interactions in general and galectin inhibition in particular.

The candidate must have bachelor's degree in an appropriate subject (preferably 
chemistry), and should ideally have previous experience in structural biology, 
both theoretical and practical. The candidate should also have good knowledge 
of theoretical chemistry. Experience of quantum chemistry, statistical 
mechanics and simulations is an advantage.

The deadline for application is 31st January 2013.

For more information on the eligibility requirements, please see:

http://admin.lu.se/o.o.i.s?id=22598Dnr=511988Type=E

For further information on the project please contact: 
Derek Logan, Senior lecturer 
+46 46-2224584 
derek.lo...@biochemistry.lu.se

Ulf Ryde, Professor 
+46-2224502 
ulf.r...@teokem.lu.se

http://www.cmps.lu.se/
http://www.teokem.lu.se/
http://www.chem.lu.se/People/galectins_in_Lund/
http://www.esss.se


Re: [ccp4bb] Today ...

2012-12-20 Thread case
On Thu, Dec 20, 2012, Phil Evans wrote:

 … is 20.12.2012

No, it's actually 12.20.2012, kind of a palindrome.

 
 Happy Christmas everyone!

And Merry Christmas to those on the left side of the pond!

...dac


Re: [ccp4bb] Today ...

2012-12-20 Thread Raji Edayathumangalam
Merry/Happy Christmas, Happy Your Favourite Festival/Celebration and Happy
New Year!
Raji


On Thu, Dec 20, 2012 at 9:44 AM, case c...@biomaps.rutgers.edu wrote:

 On Thu, Dec 20, 2012, Phil Evans wrote:

  … is 20.12.2012

 No, it's actually 12.20.2012, kind of a palindrome.

 
  Happy Christmas everyone!

 And Merry Christmas to those on the left side of the pond!

 ...dac




-- 
Raji Edayathumangalam
Instructor in Neurology, Harvard Medical School
Research Associate, Brigham and Women's Hospital
Visiting Research Scholar, Brandeis University


Re: [ccp4bb] Today ...

2012-12-20 Thread Edward A. Berry

No, No- in scientific circles we go from MSB on the left to LSB on the right:
2012 12 20  (still a sort of palindrome).

as in
Release: 2012-12-19 Classification: Lipid Transport
Experiment: SOLUTION NMR Residue Count: 216

but right to left can be used if there is no ambiguity:
REVDAT   1   19-DEC-12 2LEM0

case wrote:

On Thu, Dec 20, 2012, Phil Evans wrote:


… is 20.12.2012


No, it's actually 12.20.2012, kind of a palindrome.



Happy Christmas everyone!


And Merry Christmas to those on the left side of the pond!

...dac



Re: [ccp4bb] Today ...

2012-12-20 Thread David Schuller

On 12/20/12 11:23, Edward A. Berry wrote:
No, No- in scientific circles we go from MSB on the left to LSB on the 
right:

2012 12 20  (still a sort of palindrome).


This is the best method if you are going to incorporate the date into a 
file name. That way alphanumeric and chronological searches come up the 
same.


It's a pity it took us so long to figure this out, and the world is 
ending tomorrow.


http://www.makemeacocktail.com/cocktail/7209/mayan-apocalypse/
Maya Apocalypse cocktail

--
===
All Things Serve the Beam
===
   David J. Schuller
   modern man in a post-modern world
   MacCHESS, Cornell University
   schul...@cornell.edu


[ccp4bb] Position available

2012-12-20 Thread Hernando J Sosa
POST-DOCTORAL POSITION

A post-doctoral position is available immediately for a multi-disciplinary 
research project investigating the regulation of biological motors activity 
from the cellular to the molecular level. The group comprises the laboratories 
of Gary Gerfen, Ao Ma, David Sharp and Hernando Sosa in the Department of 
Physiology and Biophysics of the Albert Einstein College of Medicine. A strong 
interest in cell and structural biology is required for this position. 
Preference will be given to candidates with previous experience applying 
structural biology techniques (Cryo-em, X-ray crystallography, EPR or 
fluorescence spectroscopy).

State of the art resources are available in each of the participating 
laboratories and in the core facilities of the Albert College of Medicine. 
These capabilities include EPR (PELDOR, high frequency, HYSCORE), several 
modalities of fluorescence microscopy (con-focal, epi, tirf, single-molecule 
polarization etc), cryo-electron microscopy and state-of-the-art computer 
clusters for molecular simulations. All four laboratories in the group are 
located in the Albert Einstein College of Medicine in New York City, which 
offers a vibrant scientific and social environment.  Interested applicants 
should forward a CV and three reference letters to Hernando Sosa at 
hernando.s...@einstein.yu.edufile:///C:\Users\hsosa\AppData\Local\Users\hsosa\AppData\Local\Microsoft\Windows\Temporary%20Internet%20Files\Content.Outlook\Q7O3XC8L\hernando.s...@einstein.yu.edu.

Yeshiva University is an equal opportunity employer committed to workforce 
diversity.





Re: [ccp4bb] Today ...

2012-12-20 Thread Laurie Betts
OMG LOL Geeks!  Dog bless you all!!!

On Thu, Dec 20, 2012 at 8:52 PM, Bosch, Juergen jubo...@jhsph.edu wrote:

 May I introduce you to another fool proof way:
 12d12
 year-month-day
 This is in particular useful in a mixed lab with american and europeans
 labeling Eppendorf tubes differently. The month has a defined letter, like
 this you know that your buffer was made on June 9th and not September 6th
 J, F,M,A,Y,J,U,G,S,O,N,D for the months, simply first letter, but if taken
 move to the second letter etc.

 I'm sure you guys know about the two Bohemian mathematicians who figured
 out that the Apocalypse as predicted by the Mayan calendar is due in 104
 years because the alignment of events was done incorrectly.

 Jürgen

 ..
 Johns Hopkins University
 Bloomberg School of Public Health
 Department of Biochemistry  Molecular Biology
 Johns Hopkins Malaria Research Institute
 615 North Wolfe Street, W8708
 Baltimore, MD 21205
 Office: +1-410-614-4742
 Lab:  +1-410-614-4894
 Fax:  +1-410-955-2926
 http://lupo.jhsph.edu


 On Dec 20, 2012, at 12:17 PM, David Schuller wrote:

 On 12/20/12 11:23, Edward A. Berry wrote:

 No, No- in scientific circles we go from MSB on the left to LSB on the

 right:

 2012 12 20  (still a sort of palindrome).


 This is the best method if you are going to incorporate the date into a
 file name. That way alphanumeric and chronological searches come up the
 same.

 It's a pity it took us so long to figure this out, and the world is
 ending tomorrow.

 http://www.makemeacocktail.com/cocktail/7209/mayan-apocalypse/
 Maya Apocalypse cocktail

 --
 ===
 All Things Serve the Beam
 ===
David J. Schuller
modern man in a post-modern world
MacCHESS, Cornell University
schul...@cornell.edu








[ccp4bb] off topic:how to prevent DNA tetraplexe forming?

2012-12-20 Thread dengzq1987
Hi all,
recently, i perform an EMSA experiment.when i prepared the DNA with a 5' 
poly(G)-tailed ,i find that it formed guanine tetraplexes .how can i prevent 
this happen,or has any method to disrupt the guanine tetraplexes  structure? 
any suggestion is appreciation.


dengzq
 

Re: [ccp4bb] off topic:how to prevent DNA tetraplexe forming?

2012-12-20 Thread Miguel Ortiz Lombardia
El 21/12/12 05:16, dengzq1987 escribió:
 Hi all,
 recently, i perform an EMSA experiment.when i prepared the DNA with a 5'
 poly(G)-tailed ,i find that it formed guanine tetraplexes .how can i
 prevent this happen,or has any method to disrupt the
 guanine tetraplexes  structure? any suggestion is appreciation.
  
  
 dengzq
  

Hi,

How you know the tail forms tetraplexes? Couldn't be other type of
structure? Tetraplexes are stabilized by potassium and, to a lesser
extent by sodium cations. Try to avoid them in your buffer or to keep
them to a minimum. Or you can use lithium as counterion, it is too small
to stabilize the tetraplexes. Another option is to add a complementary
poly(C) oligo before running your EMSA.

Cheers,

-- 
Miguel

Architecture et Fonction des Macromolécules Biologiques (UMR7257)
CNRS, Aix-Marseille Université
Case 932, 163 Avenue de Luminy, 13288 Marseille cedex 9, France
Tel: +33(0) 491 82 55 93
Fax: +33(0) 491 26 67 20
mailto:miguel.ortiz-lombar...@afmb.univ-mrs.fr
http://www.afmb.univ-mrs.fr/Miguel-Ortiz-Lombardia