PDRA Computing for Integrated Structural Biology

UNIVERSITY OF SOUTHAMPTON; United Kingdom; On-site; GBP 30,000 - 45,000; Full time

Job summary

A prestigious UK university is seeking a scientific computing expert to develop innovative software for structural biology. The role focuses on integrating electron and crystallographic data to enhance molecular visualization. Applicants should have a strong background in programming and experience in data integration techniques. This is a full-time position based in the Research Complex at Harwell with potential for extension and collaboration across renowned teams.

Qualifications

• Experience in developing routines for data integration.
• Familiarity with structural biology techniques.
• Proficient in programming for molecular visualization.

Responsibilities

• Develop routines to combine heterogeneous data types.
• Enable integrative modeling of macromolecular structures.
• Collaborate with teams on software development.

Skills

Scientific computing

Molecular visualization software

Data integration

Education

Relevant degree in computational biology or related field

Tools

Coat / Moorhen software

Job description

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Organisation/Company: UNIVERSITY OF SOUTHAMPTON

Research Field: Other

Researcher Profile: Recognised Researcher (R2), First Stage Researcher (R1)

Country: United Kingdom

Application Deadline: 4 Sep 2025 - 00:00 (UTC)

Type of Contract: Other

Job Status: Full-time

Is the job funded through the EU Research Framework Programme? Not funded by a EU programme

Is the Job related to staff position within a Research Infrastructure? No

Offer Description

Summary: We offer a post in scientific computing in structural biology. To bring together electron microscopic and crystallographic structural information, you will develop routines to combine 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 initially funded phase, the project will focus on reading electron and nuclear density maps from macromolecular crystallography and electron microscopy. The aim is to create routines that are extensible and adaptable to future data formats. Future extensions may include small angle X-ray scattering (SAXS), NMR, molecular modelling, or biophysical experiments (e.g., native/Hdx-MS, SPR, FRET).

The Post: This post is part of the DRI-IMB network, an initiative of UK’s Digital Research Infrastructure, funded through CoSeC. It is shared between the collaborative computing projects for macromolecular crystallography and electron microscopy, CCP4 and CCPEM. The primary location is the Research Complex at Harwell, with collaboration with the Moorhen and Coot teams at York and the LMB Cambridge. The initial appointment is for one year, with potential extension to three years.

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