McNicholas, Stuart, Croll, Tristan, Burnley, Tom et al. (6 more authors) (2017) Automating tasks in protein structure determination with the Clipper Python module. Protein science : a publication of the Protein Society. pp. 1-24. ISSN 1469-896X
Abstract
Scripting programming languages provide the fastest means of prototyping complex functionality. Those with a syntax and grammar resembling human language also greatly enhance the maintainability of the produced source code. Furthermore, the combination of a powerful, machine-independent scripting language with binary libraries tailored for each computer architecture allows programs to break free from the tight boundaries of efficiency traditionally associated with scripts. In the present work, we describe how an efficient C++ crystallographic library such as Clipper can be wrapped, adapted and generalised for use in both crystallographic and electron cryo-microscopy applications, scripted with the Python language. We shall also place an emphasis on best practices in automation, illustrating how this can be achieved with this new Python module. This article is protected by copyright. All rights reserved.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 2017 The Protein Society. |
Keywords: | Journal Article |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Chemistry (York) |
Funding Information: | Funder Grant number BBSRC (BIOTECHNOLOGY AND BIOLOGICAL SCIENCES RESEARCH COUNCIL) BB/L006383/1 |
Depositing User: | Pure (York) |
Date Deposited: | 27 Sep 2017 14:15 |
Last Modified: | 19 Dec 2024 00:07 |
Published Version: | https://doi.org/10.1002/pro.3299 |
Status: | Published |
Refereed: | Yes |
Identification Number: | 10.1002/pro.3299 |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:121767 |