Tasks


Common tasks and how to go about them: Use-Case scenarios.
This is our “how-to” section. There is no sequence to the information presented here – it’s just a bunch of ‘taks’ that you may want to perform using Olex2.

Customisation

Olex2 can be intensively customised

Finalising a Structure

How to really finish a structure off

Reports & Images

Every structure determination needs reports and images. Here’s how you get them using Olex2

Scripting Olex2

There are two different levels on which Olex2 can be scripted

Compatibility with Other Software

Olex2 will make use of plenty of other crystallographic software

Significant Figures in Tables

How many significant figures are reported with geometric parameters?

Console Settings

Change the appearance of the console

Extension Modules

Various extension modules are available for Olex2

Molecular Display

Customise how the atoms and molecules look

Setting Default Programs

Setting up external programs such as text editors and web browsers

Toolbox Work

A collection of commonly used tools

Refinment Workflow

Some common tasks

Batch Processing

Sometimes a little automation helps…

Anharmonic Refinement

Refining atoms anharmonically

CIF, Images and Reports

Generating Pictures and Reports in Olex2

Refining Electron Diffraction Structures

Refining structres based on electron diffraction data

Solvent Masking

When entities in the solvent sphere just can’t be modelled.

Bugs

Small annoying creatures