[ccp4bb]: refinement workshop

[Garib Murshudov <garib@ysbl.york.ac.uk>]

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    CCP4 and EU MaxInf Workshop

   Refinement of Macromolecular structures

   We are organising a workshop from January 3rd-4th and 7-9th 2001 in
York on
   problems in refinement and validation of macromolecular  structure.
The
   workshop aims to provide a sound training in these techniques and is
part
   of our aim to promote good practice.
   This workshop straddles the CCP4 Study Weekend, also in York on
January 5-6th.
   Participants would be expected to attend the Study Weekend as well.

   The travel, accomodation and course fees for European students, 1
American and
   1 Asian will be paid by the a European Commission Infrastructure
Cooperation
   Network and CCP4.

   The workshop will combine morning lectures and practicals for the
rest of the
   day. The course is aimed at PhD students and post-docs with some
crystallographic
   experience. They  will be encouraged to work with their own data
wherever possible.
   Numbers are limited to 20 students. Supervisors are asked to nominate
one student
   per laboratory. Amongst the topics to be considered will be

1) General principles of refinement
   Why refinement is necessary?
   Refinement as an application of statistics

2) Knowledge about basic chemistry of macromolecules and how to handle
it
   Bond lengths, bond angles and others
   How to make new ligand description
   How to handle phase information

3) Residual to express experimental data with model parameters
   Maximum likelihood
   Use of phase information to enhance power of refinement
   Anomalous diffraction and refinement
   Special refinement problems, pseudo-translation and others


4) Parameterisation of the model
   xyz, isotropic B, anisotropic B
   translation, libration, screw (TLS)
   Torsion angle refinement

5) Model building and rebuilding.
   Basics of model building, use of knowledge
   Automatic model building, ArpWarp
   Interactive model building with use of graphics, QUANTA, O

   Speakers/tutors will include

   Paul Adams             CCI Lawrence Berkeley Laboratory CNS
   Gerard Bricogne        LMB MRC Cambridge
   Eleanor Dodson         York
   Ralf Grosse-Kunstleve  CCI Lawrence Berkeley Laboratory
   Victor Lamzin          Hamburg
   Garib Murshudov        York
   Anastasis Perrakis     Grenoble
   Randy Read             Cambridge
   George Sheldrick       Gottingen
   Dale Tronrud           Eugene, Oregon
   Martyn Winn            CCP4, CLRC

   Details of the program will shortly appear on the WWW:
   (http://www.ysbl.york.ac.uk/~ccp4/workshop2001.html)
   Send applications with short c.v. to Dr E.J.Dodson, University of
York,
   Heslington,York YO1 5DD,UK from whom further details may be obtained.
(
   Tel: 44 1904 432520, Email E.Dodson@yorvic.york.ac.uk).

   Students should include a letter of support from their supervisor.


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Garib N. Murshudov, Chemistry Department, University of York, U.K.
Tel: Home +44 (1904) 42 62 87, work:  +44 (1904) 43 25 65
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