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Olex2 at the AsCA 2019 in Singapore

Olex2 at the AsCA 2019 in Singapore

Author: OlexSys Ltd/27 February 2019/Categories: OlexSys Ltd, Workshops

2 Days of Olex2 at the AsCA 2019 in Singapore

to be held on 15th and 16th December 2019

 

Welcome to the AsCA 2019 and to the official Olex2 workshop, which will be held on the first day of the conference from 9am until about 5.00pm.

We have 50 places available for this exciting workshop -- please register early to avoid disappointment! The early bird registration fee is SGD 60 (including tea/coffee and lunch). The regular registration fee is SGD 80. For more details, please check out the official AsCA website.





Horst Puschmann



We will be around throughout the conference and please don’t hesitate and talk to us with about questions you may have. You can also always e-mail me at horst@olexsys.org.

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

  • Solvent Masking the Olex2 way

  • Making Pictures

  • CIF file Generation in Olex2

  • Finishing Structures for Publication

 

Before you attend the workshop, you may want to have a look at some of our videos on our YouTube channel:

Youtube, Logo - Free images on Pixabay

There are plenty of videos -- from getting started with Olex2 through to explaining more complicated issues like disorder modelling across symmetry elements.

Sunday, December 15 2019

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


The first part of this session will be lecture-style – we will introduce the key concepts or working with Olex2 and work through one or two very simple example structures.

In the second part, you will repeat the same structure on your own (or in small groups). At the end of this session, you will be able to confidently solve and refine a simple small-molecule structure using Olex2!

11.00am

An overview of Advanced Topics in Olex2


In this session, we will introduce various concepts that are required to start tackling more complex problems such as disorder and twinning. This session will be more or less lecture-style again.

12.30am

Lunch


 

14.00pm

Disorder Modelling in Olex2 – Hands on!


Now it’s your turn. You will be given a somewhat more complex problem this time. Watch out for disorder – and could there be a problem with twinning?

Please pair up or work in groups of three. It would be best if this could be a lively session with lots of interaction between yourselves.

16.30pm

Wrapping it up


A repeat of what we have covered today – questions and answers and anything else that comes up. It’s your workshop!

4.30pm

Close


Monday, December 16 2019

We are looking forward to the AsCA and the Olex2 workshop. See you in Singapore!

Work in groups, and try tackling difficult structures of your own. Make sure you have some to bring along to this workshop – this way you will get the most out of it.

8.30am

Set-up Session


For those who couldn't attend on the previous day. Even if you can only attend for this one day, it will be worth your time!

9.00am

Solvent Masking in Olex2 | Hydrogen Atom Placement


Solvent masking is an important part of many structure determinations. It is also a highly contentious issue. Here we will discuss what it is, where and how it should be used and, most importantly, how its use should be documented.

Hydrogen atoms are enormously important in chemistry. Here are some tips and tricks on how these important one-electron atoms can be tamed in Olex2.

11.00am

Generating Publication Material: The CIF file, Images and Reports


In this session, we will introduce various concepts that are required to start tackling more complex problems such as disorder and twinning. This session will be more or less lecture-style again.

12.30am

 Lunch


A lunchbox is included in the registration fee.

14.00pm

Putting it All Together.

16.30pm

Wrapping it up


A concluding session where we will review the most important ‘take-home’ messages for using Olex2.

17.30pm

Close


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Did You Know?

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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OlexSys Ltd
Chemistry Department

Durham University, DH1 3LE , UK

+44 (0) 191 334 2004
www.olexsys.org
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