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Olex2 Workshop in Warwick: Schedule

Olex2 Workshop in Warwick: Schedule

Author: OlexSys Ltd/25 July 2013/Categories: News, Workshops

Olex2 ECM Schedule (PDF) Olex2 is a very powerful tool to assist with all stages of a crystallographic structure determination from structure solution through refinement to image, report and CIF generation. The aim of the day is to give you a good introduction into what Olex2 is capable of, highlighting the key operations required through a structure determination process alongside some of the useful tools that are available to assist you in your work as a structural analyst and crystallographer. The workshop will be informal, and there will be plenty of time for hands-on experience with Olex2. Short sets of instructions will be followed by hands-on ‘now-do-it-yourself’ sections during which we will be available to assist and help sorting out any problems you may encounter. 8.15 - 8.50: Setting up: Come along early if you have any installation problems. We will be there! 9.00 - 9.30: What is Olex2? An introduction 9.30 - 10.30: First Steps with Olex2: Finding your way around We will explore the Olex2 GUI and provide an overview of the capabilities of the software. The basic concepts behind Olex2 will be explained.
Coffee Break
11.00 - 12.30: A Complete Structure Determination: A simple small molecule We will perform a complete structure analysis of a small-molecule structure from structure solution, model building and refinement (using olex2.refine and ShelXL-2013) through to the generation of an IUCr journal-ready CIF. The basics of the Olex2 workflow will be demonstrated.
Working Lunch: Try what we’ve covered!
13.30 - 15.00: Working with Disorder: Exploring tools for more complicated cases  
  • electron density maps
  • advanced tools for model building
  • split and fit fragments
  • import/export  fragments
  • solvent masking
  • disorder across symmetry elements
Coffee Break
15.30 - 17.00: Growing, Packing, Images, Reports and CIF: An overview The aim here is to give you an opportunity to experience what Olex2 is capable of and demonstrate some of the tools to grow and pack structures as well as producing images, reports and CIFs for publication. We hope that you will be able to drive Olex2 well enough by the end of the day so that you can start looking at some of your own structures. So please bring some of your own data along!

The Olex2 team we will be at the ECM throughout the conference – if you have any queries, problems, suggestions or just want to have a chat, please come and find us!


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The latest version of ShelXL is fully supported by Olex2. 

Please use the latest versions of ShelXL. If you haven't updated to ShelXL-20XX yet, then please get your copy now by searching for SHELX on the web!

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10 February 2020/Author: OlexSys Ltd/Number of views (718)/Comments (0)/

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Durham University, DH1 3LE , UK

+44 (0) 191 334 2004