PDRA Computing for Integrated Structural Biology

Full Time Fixed Term until 30/09/2026

Summary:

We offer a post in scientific computing in structural biology. To bring together electron microscopic and crystallographic structural information, you will and develop routines to combined heterogeneous data types in an existing molecular visualization software. You will develop a practical and immediately useful application that enables integrative modelling of a macromolecular structure from multiple techniques. This will allow researchers to visualise and ‘manually weight’ different types of information from different sources globally and locally across a macromolecular structure, and pipe into structure refinement and validation. The framework for this work is already set up, as you will join a team of programmers.

The project:

Specifically, you will work on the coot / moorhen project. In the phase funded initially the project will focus on reading in electron and nuclear density maps from macromolecular crystallography and electron microscopy. The aim is to create routines that are extensible and will allow adaptation to further data formats in future. This will be done in a second phase (extension) and may include small angle X-ray scattering (SAXS), NMR, molecular modelling, or biophysical experiments (e.g. native/Hdx-MS, SPR or FRET).

Qualifications: Proficiency in at least one computer language as in C++ and/or Python is required. This project also uses Javascript, REACT, and GTK. Experience in structural biology in at least one technique is also required.

The Post: This post is part of the DRI-IMB network, an initiative of UKs Digital Research Infrastructure with the vision to integrate computing across the biosciences and funded through CoSeC. It is shared between the collaborative computing projects for macromolecular crystallography and electron microscopy, CCP4 and CCPEM. Primary location of the post is the Research Complex at Harwell, while you will also work with the Moorhen and Coot teams at York and the LMB Cambridge. Initial appointment is for one year but can be extended to three years.

Contact:

For more information on the post please contact:

Ivo Tews – University of Southampton, e mail: ivo.tews@soton.ac.uk and

Tom Burnley - STFC UKRI, e mail: tom.burnley@stfc.ac.uk

Application: Apply by uploading your CV and a cover letter detailing how your skills and experience match the requirements of the role.

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