What does the future hold? SAPHIRE CCP4 libraries Program Developments More automation 3D viewer Project CCP4 Study Weekend 2003 BAR!

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Presentation transcript:

What does the future hold? SAPHIRE CCP4 libraries Program Developments More automation 3D viewer Project CCP4 Study Weekend 2003 BAR!

SAPHIRE Reads protein sequences in SwissProt format either stored locally or when downloaded from a specified database. This sequence can then be edited for future use. Will be expanded further to include sequence alignment functions for model building. Author: Pryank Patel, CCP4

CCP4 Libraries Full functionality of CCP4 Libraries in C and C++ Legacy applications will still work! Library calls can be used directly from scripts. Faster development of software. Many existing applications being translated into C and C++

Program developments: PHASER Independent development of Randy Read and co-workers. Maximum likelihood methods for SIR/MIR, SAD/MAD and MR accounting for pairwise correlations between datasets. Fully integrated program for experimental phasing and molecular replacement, including heavy atom location. To be included in CCP4, and ccp4i interface being developed. phaser

More Automation

3D Viewer Project

AUTOSTRUCT The core of this project is to bring together the efforts of most of the major European software developers for X-ray crystallography towards achieving the goal of making the procedure of structure solution more effective, in terms of using more powerful algorithms to solve, refine and validate structures. The software should not only be as transparent as possible to the end user, but also assist in the case of user inexperience.

CCP4 Study Weekend 2003 Venue: University of York Date:3/4 January 2003 Subject:Experimental Phasing Scientific Organisers: Neil McDonald (Birbeck College, London) Airlie McCoy (University of Cambridge)

Questionnaire Please fill in your Questionnaire and return it to one of the speakers or to the CCP4 stand. Help us to help you!

Acknowledgements Daresbury Laboratory Martyn Winn - cmtz, csym Alun Ashton - XML Peter Briggs - ccp4i Charles Ballard - cmap European Bioinformatics Institute Kim Henrick - data harvesting Eugene Krissinel - mmdb MRC-LMB, Cambridge Andrew Leslie, Harry Powell, Graeme Winter - mosflm Phil Evans York University Kevin Cowtan - clipper, csym Liz Potterton - MG, ccp4i Garib Murshudov - refmac Yao Jia-Xing – acorn Alexei Vagin - molrep Eleanor Dodson Cambridge University Randy Read, Airlie McCoy Funding BBSRC – CCP4 EU - AUTOSTRUCT and many more...

Thanks Today: Harry Powell Roberto Steiner Bernhard Rupp Steve Prince Maeri Howard-Eales

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