Commission on Crystallographic Computing

Schedule of the programme

Oviedo, Spain- Crystallographic Computing School (Tuesday 16th August to Monday 22nd August 2011)

This school will put a strong weight on fostering one-on-one interactions. Accordingly, there will be only 16 lectures of 45 minutes each plus 6 student lectures of ~20 minutes, (14 hours total) but more than 24 hours of tutorials. We will have four to eight rooms to run parallel tutorials in small groups.

We will be including a Poster Session during the School; students are encouraged to bring and display a poster describing their current research. This will present an opportunity for students to present their work in a more intimate environment than at the IUCr Congress in Madrid, but we expect these posters to be the same as those presented in the poster sessions in Madrid.

[Harry Powell] Dr Harry Powell (Speakers' program)
MRC Laboratory of Molecular Biology
Hills Road, Cambridge,
CB2 0QH, UK.
Tel: +44 (0) 1223 248011
Fax: +44 (0) 1223 213556
E-mail: harry@mrc-lmb.cam.ac.uk
WWW: http://www.mrc-lmb.cam.ac.uk/harry/

 



    
Date,Time Speaker Theme

Tuesday (afternoon) 16th August
 
 13:00-15:30 arrival / reception / registration (with beer/cider/wine/cakes)
 15:30-15:45 Santiago Garcia-Granda Opening ceremony
 15:45-16:30 David Watkin Historical talk: history of the IUCr computing schools
 16:30-17:15 Bob Gould Historical talk: Computing before Computers
 17:15-19:30 orientation
 19:30-late Civil reception in Oviedo? Cider tasting : social drinks/cakes
 
   

 Wednesday 17th August



 07:30-08:50 breakfast
 08:50-09:00 announcements
 09:00-10:30 2-3 minutes per speaker Introducing themselves
 10:30-11:00 coffee/tea/cake/discussions
 11:00-11:45 Ralf Grosse-Kunstleve Scripting and programming using the cctbx
 11:45-13:30 introduction to tutorials, student poster talks (3 minutes each) posters to remain up for course of school
 13:30-15:00 Lunch
 15:00-15:45 Luc Bourhis Age concern: mining established software for unpublished wisdom
 15:45-16:30 Horst Puschmann new interface designs for small molecule crystallography
 16:30 -17:00

coffee/tea/cakes/discussions


 17:00-19:30 tutorials (with drinks/beer/wine/coffee/cake)
 19:30-20:30 informal tutorials 
 20:30-late dinner, informal discussions
 
   
 Thursday 18th August
 07:30 - 08:50

 breakfast  

 

 

 08:50 - 09:00 announcements   
 09:00 - 09:45 Mois Aroyo 

The Bilbao crystallographic server

 09:45 - 10:30 Gianluca Cascarano  Direct methods algorithms for small molecules and proteins (emphasising small molecules) 
 10:30 - 11:00  coffee/tea/cakes/discussions 
 11:00 - 13:30 tutorials   
 13:30 - 15:00  lunch   
 15:00 - 15:45  Jordi Rius  Direct methods algorithms in powder diffraction 
 15:45 - 16:30 Thomas White  Crystallographic data processing for free-electron laser sources 
 16:30 - 17:00  coffee/tea/cakes/discussions   
 17:00 - 19:30  tutorials   
 19:30 - late  Espicha-concierto, en un llagar (dinner and concert in a cider making brewery)   

 
   
 Friday 19th August    
 07:30 - 08:50  breakfast   
 08:50 - 09:00 announcements   
 09:00 - 09:45 Paul Emsley  Writing large crystallographic (or scientific) software - it's not about the algorithms 
 09:45 - 10:30 Vincent Favre-Nicolin  Real space structure solution methods 
 10:30 - 11:00 coffee/tea/cakes/discussions    
 11:00 - 13:30 tutorials   
 13:30 - 15:00 lunch   
 15:00 - 20:30 free afternoon   
 20:30 - late dinner   


   
 Saturday 20th August    
 07:30 - 08:50 breakfast   
 08:50 - 09:00 announcements   
 09:00 - 09:45 Tom Terwilliger  Introduction to Bayesian methods and how to program them 
 09:45 - 10:30 Garib Murshudov  Minimisation algorithms relevant to crystallography 
 10:30 - 11:00 coffee/tea/cakes/discussions   
 11:00 - 13:30 tutorials   
 13:30 - 15:00 lunch   
 15:00 - 15:45 Martin Lutz  Algorithms and methods for the handling of twin crystals
 15:45 - 16:05 Laura Torre  DD2011 - A Python Class to use DirDif-2007 
 16:10 - 16:30  Rita Giordano  Systematic studies on cryo-cooled crystal non-isomorphism 
 16:30 - 17:00 coffee/tea/cakes/discussions   
 17:00 - 19:30 tutorials   
 19:30 - 20:30 informal tutorials   
 20:30 - late Conference dinner at Hotel de la Reconquista   
 
   
 Sunday 21st August    
 07:30 - 08:50 breakfast   
 08:50 - 09:00 announcements    
 09:00 - 09:45 Lukas Palatinus  Programming incommensurately
 09:45 - 10:05 Vincent Favre-Nicolin GPU Programming
 10:10 - 10:30 Emre Tasci  Obtaining the transformation matrix connecting two group-subgroup related structures
 10:30 - 11:00 coffee/tea/cakes/discussions   
 11:00 - 13:30 tutorials   
 13:30 - 15:00 lunch   
 15:00 - 15:20 Birger Dittrich Aspherical Atom Modelling with invariant atoms using MolecoolQt and Invariom Tool 
 15:25 - 15:45 Saulius Grazulis  Title TBA 
 15:45 - 16:30 Davide Viterbo  History and community development of direct methods 
 16:30 - 17:00 coffee/tea/cakes/discussions   
 17:00 - 19:30 tutorials   
 19:30 - 20:30 informal tutorials   
 20:30 - late dinner   
 
   
 Monday 22nd August    
 07:30 - 08:50 breakfast   
 08:50 - 09:00 announcements   
 09:00  bus to Madrid   
     
     
     
     
     
     
     
     
     
     
     
     
     
     
     

These pages are maintained by the Commission Last updated: 15 Oct 2021