Blog - The Cambridge Crystallographic Data Centre (CCDC)

Metal-organic frameworks (MOFs) Talk and Networking Event recording, presentation, and more!

Jeff Lengyel – Tue, 19 Oct 2021 21:02:00 GMT

On 14 October, we hosted Dr Peyman Z. Moghadam from The University of Sheffield at our MOFs networking event. He presented his talk, High-throughput Computational Screening for MOF Materials Discovery. He spoke on how the analysis of MOFs data can support and guide the development of novel MOFs to suit specific applications like energy storage, catalysis, and CO2 sequestering. Here, you'll find materials from the event, including a recording of his presentation.

Learnings from our Discovery Science Conference: High-performance data meets high-performance computing

Susan Reutzel-Edens – Thu, 17 Jun 2021 22:32:00 GMT

We recently hosted our 2021 Discovery Science Conference: High-performance data meets high-performance computing. Over the course of the two-day event, leading researchers discussed how drug discovery continues to evolve – with data-driven approaches answering more questions than ever about novel and improved active pharmaceutical ingredients (APIs). Here are some of our key takeaways.

Community Toolkit from Crystal Conversations

Sophie Bryant – Mon, 09 Nov 2020 14:03:00 GMT

Hundreds of people have joined the CCDC and BACG at the Crystal Conversations virtual events this year - for tutorials, talks and tea breaks for solid form scientists of all disciplines. This month we built a community toolkit of resources that help you do great work.

Going virtual – the first CCDC UGM held online!

Carmen Nitsche – Mon, 27 Apr 2020 16:41:00 GMT

A few months ago, watching the news of COVID-19 spreading, we knew it would not be safe to hold our user group meeting at a hotel in Cambridge, MA as planned. Rather than cancelling, we moved this to become a virtual event which went ahead on the same date, 24^th April 2020.

What happens at a CCDC User Group Meeting (UGM) ?

Peter Wood – Wed, 26 Feb 2020 10:06:00 GMT

Each year we hold User Group Meetings, or UGMs, as a chance to meet with scientists from all areas of industry and academia who are using our software. This quick summary outlines what happens on the day, and why you should attend if you haven't before.

African adventures

Suzanna Ward – Thu, 21 Feb 2019 16:13:00 GMT

It was with much excitement that Amy Sarjeant and I headed off to the second Pan African Conference on Crystallography (PCCr2) in Ghana at the end of February. This wasn’t our first visit to the African continent on behalf of the CCDC and each trip has been a memorable and rewarding experience.

CSP Blind Test - Best Ever Results!

Colin Groom – Thu, 05 Nov 2015 00:00:00 GMT

One of the most exciting events we hold at the CCDC are our blind tests of crystal structure prediction (CSP) methods. This one turned out to be the best yet. CSP is a really attractive problem as the challenge is beautifully simply to express, but monumentally difficult to solve. Perhaps this is why the entire CSP community comes together every few years, often pooling resources, to have a crack. It’s a wonderful model that could be applied to all sorts of challenges in chemistry and other areas of science.

50 Years Later...

Suzanna Ward – Wed, 01 Jul 2015 08:00:00 GMT

When Olga Kennard began collecting crystal structures in 1965, she believed that the collective use of experimental data would lead to the discovery of new knowledge which transcends the results of individual experiments. I hope she will be proud of how the collection she began is playing such a pivotal role in chemistry research world-wide in the 21st century. I am certainly looking forward to hearing her talk at our CSD50 symposium this week.

Crystallography is a unique discipline in that crystallographers share their research results as a matter of course. Since the inception of the CSD in 1965, the CCDC has fully played its role in sharing this data and we are able to make the entire collection of over 780,000 entries available to all scientists across the world. As well as helping you ensure your research results are made accessible to everyone, we’ve developed analysis software that enables experimental data to be turned into insights that really help scientists make informed decisions. Today, the CSD is used in virtually every chemistry laboratory - both academic and industrial – for primary research, drug discovery and development, materials science and more.

Crystal Structure Prediction - New Methods for an Old Challenge

Anthony Reilly – Mon, 29 Dec 2014 14:00:00 GMT

The prospect of understanding and designing the solid forms of organic molecules completely in silico is a tantalising one. For over 25 years, crystallographers and computational chemists have faced the challenge of trying to predict organic crystal structures.

While crystal-structure prediction (CSP) has a long way to go before it can be used routinely and reliably, it is already beginning to play an important role in understanding the organic solid-form landscape, as seen in some recent industrial examples from GSK (doi: 10.1021/cg400090r), Eli Lilly (doi: 10.1021/cg301826s) and Pfizer (doi: 10.1021/op300274s), among others.

Revisiting Montréal

Steve Maginn – Fri, 12 Sep 2014 08:26:00 GMT

This August, the 23rd IUCr Congress and General Assembly was held in Montréal, Canada. The fourth such event had taken place in Montréal back in 1957, so this was something of a revisit, bestowing the city with the honour of being the first to host the Congress twice. My attendance at the event along with Colin Groom, Pete Wood, Suzanna Ward and Paul Davie was also something of a revisit for me, as my former employers CCG, are based there, and so I had been a frequent visitor during my time working with them, and know the city well.

The IUCr Congress and General Assembly lasts for eight days – the longest conference of any with which I am familiar. All the events of the Congress were held within the Palais des Congrés de Montréal, including the Opening and Closing Ceremonies and the Conference Banquet. The Palais is an interesting building; the bulk of which is of 1980s construction, with a more recent extension providing some shops and a large, airy foyer with a multi-coloured glass wall. At the Opening Ceremony we were entertained by two local circus performers and a local jazz band played at the Conference Banquet. Beyond the Palais des Congrés, Montréal is a vibrant, characterful city - as anyone who ventured away from the conference events will no doubt attest – and it was made doubly so during this week as many of the world’s top women tennis players were staying at the same hotel as us, next to the Palais des Congress, during the Rogers Cup tournament!

Blog Events

Metal-organic frameworks (MOFs) Talk and Networking Event recording, presentation, and more!

Learnings from our Discovery Science Conference: High-performance data meets high-performance computing

Community Toolkit from Crystal Conversations

Going virtual – the first CCDC UGM held online!

What happens at a CCDC User Group Meeting (UGM) ?

African adventures

CSP Blind Test - Best Ever Results!

50 Years Later...

Crystal Structure Prediction - New Methods for an Old Challenge

Revisiting Montréal

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