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OlexSys News & Events

Be informed with important and relevant news about our software and services

Posted: May 29, 2017

Setting up Olex2

We've started putting together a small presentation explaining the steps necessary to get started with Olex2. Check it out here -- and please add comments, so that we can improve this document.

Posted: May 16, 2017

Olex2 resources on the web

There are plenty of Olex2 resources on the web. Often, a quick Google search about a specific problem will return some valid bits of information. Here's also a list of resources we are aware of.

Posted: Mar 4, 2016

Olex2 YouTube Channel

We are currently experimenting with putting small video clips up on YouTube. Let us know what you think, and if you'd like to get something explained, please ask us!

Posted: Mar 10, 2015

Tutorials Broken in Olex2 1.2.6

In the current release of Olex2 (1.2.6), the Tutorials in the Home tab do not work. The fix is relatively easy, but deploying it at this point in time is not. 

Posted: Mar 7, 2015

New Documentation Section

We have updated the on-line documentation available from this website. Please let us know what you think about the way this documentation information is currently organised. Hopefully this documentation section (see the link above!) will keep growing rapidly over the next few weeks and months.

Posted: Feb 8, 2014

ShelX 2014/1

Recently, there has been an update of ShelX called 'ShelX 2014/1'. We assume that more of these updates will happen in the future, and it isn't feasible to track all of these different versions. So we have changed the way Olex2 handles the ShelX executables: From version 1.2.5 onwards, Olex2 will recognise the following (on Windows, Linux users please excuse the inclusion of the '.exe' part in the description below, but it does make it clearer!): standard shelx program names ...
Posted: Sep 26, 2013

GUI Panel Problems

The GUI panel (the thing on the right of the Olex2 screen) is written in html. This allows for a high degree of flexibility, and will generally work on most operating systems. But there are drawbacks: for very large or very small monitors the default settings might not provide a satisfactory GUI. Also, you will find problems if your computer is set to show fonts larger than normal. Another problem is the availability of fonts on your OS. We try to provide 'skins' to alleviate these ...
Posted: Sep 25, 2013

Using RESI in Olex2

The RESI command is very frequently used in macromolecular crystallography, where there are large numbers of equivalent fragments present in the structure (amino acids, for example). With the RESI instruction, atoms in different 'residues' can have the same name and all atoms can be addressed at the same time. This concept can also be useful in small-molecule work. The RESI command is fully supported by Olex2. Select all atoms you wish to be in the first residue, then type RESI ...
Posted: Sep 11, 2013

Add your own Python scripts to Olex2

Olex2 can be scripted using Python. Here are a few pointers which will help you to get started. Firstly, we recommend using a Python IDE when working with scripts. We are developing our Python code using Wing IDE. The place to put your python scripts is in the Olex2 subdirectory /etc/scripts. To register a script with Olex2, you need to add the name of your file to the list in the  file called ''. We will not update this file when Olex2 updates, so your links will be ...
Posted: Sep 4, 2013

Completing Rings

If phenyl rings are only incompletely found from residual electron density peaks, the missing atoms can be generated by Olex2. Select the atoms you've got and then type 'afix 1,2,3' (if you've got consecutive atoms, otherwise modify the digits to match what you've got already). The missing atoms of the phenyl ring will then be generated. [caption id="attachment_2218" align="aligncenter" width="550"] Select three atoms, then type 'afix 1,2,3' to generate atoms 4, 5 and ...
Posted: Aug 22, 2013


If you use olex2.refine and use the BOND $H instruction, you will see numerous CheckCIF C alerts of this type: Olex2.refine calculates the e.s.d. values correctly, but since CheckCIF doesn't have access (or at least doesn't make use of) the variance-covariance matrix, this ALERT is generated, and the official CheckCIF documentation (see the image above) agrees with us: CheckCIF doesn't know as much about these s.u. values as olex2.refine does. In other words: This ALERT is nothing ...
Posted: Jun 28, 2013

Image Resolution in DPI

[caption id="attachment_2052" align="alignleft" width="424"] The GUI from which physical image size and resolution can be set.[/caption] From version 1.2.3, thanks to the support in the wxWidgets 2.9.4, Olex2 will write resolution meta-data into raster image files. You will no longer need to calculate the required width of an image (in pixels) -- simply tell Olex2 the required width (in inches or cm) and the resolution (in dpi) and the width will be calculated for you and the dpi value ...

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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!

What's New

Olex2 Workshop at the IUCr in Prague 2020

Olex2 Workshop at the IUCr in Prague 2020

This workshop has now been postponed to the IUCr in 2021 There will be an official Olex2 Workshop at the start of this year's IUCr on Saturday, 22nd August in Prague. Registration now...
10 February 2020/Author: OlexSys Ltd/Number of views (1344)/Comments (0)/

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How to Find OlexSys

OlexSys Ltd
Chemistry Department

Durham University, DH1 3LE , UK

+44 (0) 191 334 2004