Olex2 Workshop
Organizers: Horst Puschmann (OlexSys Ltd, Durham University, UK)
Michael Bodensteiner (OlexSys UG, Germany)
Date: 18th August 2019 (1 day)
Time: 9 a.m. – 4:30 p.m.
Room: 20 E11
Fee: 70 € (included: coffee during coffee breaks / lunch)
Welcome to the ECM32 and to the official Olex2 workshop, which will be held on the first day of the conference
from 9am until about 4.30pm (in time to make it to the opening ceremony!)
We have 50 places available for this exciting workshop -- please register early to avoid disappointment!
We will be around throughout the conference and please don’t hesitate and talk to us about any questions you may have.
This workshop is suitable for all levels of experience.
We will cover the following areas in an informal and friendly setting:
Structure Solution
Structure Refinement & Model Building
Restraints & Constraints
Working with Disordered Structures
Working with Solvent Masks
Making pictures
CIF file generation in Olex2
Finishing Structures for Publication
Hirshfeld Atom Refinement
Before you attend the workshop, you may want to have a look at some of our videos on our YouTube channel: https://www.youtube.com/channel/UCV6B2W8zlmXqkU2DbIviQow
There are plenty of videos - from getting started with Olex2 through to explaining more complicated issues like disorder modelling across symmetry elements.
Timetable
8.30am Set-up Session
Please bring your own Laptops along to the workshop. It would also be very useful if
you had set up Olex2 and any other crystallographic software (ShelXL, PLATON)
before the workshop starts. This half-hour, pre-workshop session is your chance to
sort out any last-minute problems you might have experienced.
9.00am Introduction to Olex2
This hour will be lecture-style -- we will introduce the key concepts or working with
Olex2 and work through one or two very simple example structures.
10.00am It’s your turn now!
Work for yourself, or pair up in teams -- and try for yourself what we have covered in
the previous section. If it’s all familiar to you, work on your own samples (don’t forget
to bring some!). We will be here to help!
12.00am Working Lunch
We won’t provide lunch, instead here’s our chance to find some food in the nearby
cafes, get to know each other and gossip about crystallography and Olex2.
1.30pm Advanced topics in Olex2
Another lecture-style session: disorder modelling, solvent masking, HAR -- anything
that you might want to find out about. We will cover this here.
2.30pm Working out Advanced Techniques
With our help, you are now free to try anything you may want to tackle. This could be
simple cases, complicated sample disorder or your own structures -- the choice is
yours!
4.30pm Close
We are looking forward to the ECM32 and the Olex2 workshop. See you in Vienna!
