Computational tools for combining atomic and volume data


Diamond House
Fermi Avenue Harwell Science and Innovation Campus
Didcot OX11 0QX
United Kingdom
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Event Date

20th Apr 2015 to 22nd Apr 2015


Diamond House, Harwell Science and Innovation Campus, Fermi Avenue, Didcot, Oxfordshire OX11 0QX


United Kingdom

Instruct contact


Registration is now closed. Places are restricted to 20 students, and we will select participants in order to maximise the benefit (e.g. we will usually only select one person per lab).

There is no registration fee and accommodation will be provided. However, delegates will be responsible for all travel costs.

Overall aims

There is increasing overlap between structural biology disciplines, a common example being the interpretation of volume data from electron cryo-microscopy (cryoEM) in terms of atomic models from crystallography (MX) and nuclear magnetic resonance spectroscopy (NMR). A wide variety of tools exist to perform rigid-body or flexible fitting. If docking of models is successful, then one can obtain atomistic detail of large multi-component complexes, leading to a better understanding of cellular machinery.

However, because of the limited resolution of cryoEM volumes, fitting of atomic models is not straightforward, and there is a strong danger of overfitting. The course will give an overview of the issues involved, an introduction to selected tools from the cryoEM, MX and NMR fields, and a discussion of validation. There will be a mixture of lectures and hands-on practicals. The course will highlight software available from CCISB partners, including CCP4 and CCP-EM.

The course is aimed at both electron microscopists wishing to interpret their volume models, and scientists from MX/NMR looking to understand the increasing amount of cryoEM data available. The course is open to investigators at all levels, but participants should have collected, or be close to collecting, relevant structural data. We will work with examples from the PDB and EMDB, but participants can bring their own data to look at if they wish.

Confirmed tutors

Maya Topf (Birkbeck)

Alan Roseman (Manchester)

Garib Murshudov (MRC-LMB Cambridge)

Paul Emsley (MRC-LMB Cambridge)

Agnel Praveen Joseph (STFC)

Ardan Patwardhan (EBI)

Stuart McNicholas (York)

Practical details

The course will run from lunchtime on April 20th 2015 until lunchtime on April 22nd 2015. A more detailed agenda will follow.

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