Literature DB >> 21803787

A toolbox for developing bioinformatics software.

Kristian Rother1, Wojciech Potrzebowski, Tomasz Puton, Magdalena Rother, Ewa Wywial, Janusz M Bujnicki.   

Abstract

Creating useful software is a major activity of many scientists, including bioinformaticians. Nevertheless, software development in an academic setting is often unsystematic, which can lead to problems associated with maintenance and long-term availibility. Unfortunately, well-documented software development methodology is difficult to adopt, and technical measures that directly improve bioinformatic programming have not been described comprehensively. We have examined 22 software projects and have identified a set of practices for software development in an academic environment. We found them useful to plan a project, support the involvement of experts (e.g. experimentalists), and to promote higher quality and maintainability of the resulting programs. This article describes 12 techniques that facilitate a quick start into software engineering. We describe 3 of the 22 projects in detail and give many examples to illustrate the usage of particular techniques. We expect this toolbox to be useful for many bioinformatics programming projects and to the training of scientific programmers.

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Year:  2011        PMID: 21803787      PMCID: PMC3294241          DOI: 10.1093/bib/bbr035

Source DB:  PubMed          Journal:  Brief Bioinform        ISSN: 1467-5463            Impact factor:   11.622


  27 in total

1.  IGERS: inferring Gibbs energy changes of biochemical reactions from reaction similarities.

Authors:  Kristian Rother; Sabrina Hoffmann; Sascha Bulik; Andreas Hoppe; Johann Gasteiger; Herrmann-Georg Holzhütter
Journal:  Biophys J       Date:  2010-06-02       Impact factor: 4.033

2.  PROTMAP2D: visualization, comparison and analysis of 2D maps of protein structure.

Authors:  Michal J Pietal; Irina Tuszynska; Janusz M Bujnicki
Journal:  Bioinformatics       Date:  2007-03-30       Impact factor: 6.937

3.  From knotted to nested RNA structures: a variety of computational methods for pseudoknot removal.

Authors:  Sandra Smit; Kristian Rother; Jaap Heringa; Rob Knight
Journal:  RNA       Date:  2008-01-29       Impact factor: 4.942

4.  FR3D: finding local and composite recurrent structural motifs in RNA 3D structures.

Authors:  Michael Sarver; Craig L Zirbel; Jesse Stombaugh; Ali Mokdad; Neocles B Leontis
Journal:  J Math Biol       Date:  2007-08-11       Impact factor: 2.259

5.  Biopython: freely available Python tools for computational molecular biology and bioinformatics.

Authors:  Peter J A Cock; Tiago Antao; Jeffrey T Chang; Brad A Chapman; Cymon J Cox; Andrew Dalke; Iddo Friedberg; Thomas Hamelryck; Frank Kauff; Bartek Wilczynski; Michiel J L de Hoon
Journal:  Bioinformatics       Date:  2009-03-20       Impact factor: 6.937

6.  Hydrogen-bonding and packing features of membrane proteins: functional implications.

Authors:  Peter Werner Hildebrand; Stefan Günther; Andrean Goede; Lucy Forrest; Cornelius Frömmel; Robert Preissner
Journal:  Biophys J       Date:  2007-10-05       Impact factor: 4.033

7.  Voronoia: analyzing packing in protein structures.

Authors:  Kristian Rother; Peter Werner Hildebrand; Andrean Goede; Bjoern Gruening; Robert Preissner
Journal:  Nucleic Acids Res       Date:  2008-10-23       Impact factor: 16.971

8.  BioJava: an open-source framework for bioinformatics.

Authors:  R C G Holland; T A Down; M Pocock; A Prlić; D Huen; K James; S Foisy; A Dräger; A Yates; M Heuer; M J Schreiber
Journal:  Bioinformatics       Date:  2008-08-08       Impact factor: 6.937

9.  InterPro: the integrative protein signature database.

Authors:  Sarah Hunter; Rolf Apweiler; Teresa K Attwood; Amos Bairoch; Alex Bateman; David Binns; Peer Bork; Ujjwal Das; Louise Daugherty; Lauranne Duquenne; Robert D Finn; Julian Gough; Daniel Haft; Nicolas Hulo; Daniel Kahn; Elizabeth Kelly; Aurélie Laugraud; Ivica Letunic; David Lonsdale; Rodrigo Lopez; Martin Madera; John Maslen; Craig McAnulla; Jennifer McDowall; Jaina Mistry; Alex Mitchell; Nicola Mulder; Darren Natale; Christine Orengo; Antony F Quinn; Jeremy D Selengut; Christian J A Sigrist; Manjula Thimma; Paul D Thomas; Franck Valentin; Derek Wilson; Cathy H Wu; Corin Yeats
Journal:  Nucleic Acids Res       Date:  2008-10-21       Impact factor: 16.971

10.  MODOMICS: a database of RNA modification pathways. 2008 update.

Authors:  Anna Czerwoniec; Stanislaw Dunin-Horkawicz; Elzbieta Purta; Katarzyna H Kaminska; Joanna M Kasprzak; Janusz M Bujnicki; Henri Grosjean; Kristian Rother
Journal:  Nucleic Acids Res       Date:  2008-10-14       Impact factor: 16.971

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  9 in total

1.  Pyteomics--a Python framework for exploratory data analysis and rapid software prototyping in proteomics.

Authors:  Anton A Goloborodko; Lev I Levitsky; Mark V Ivanov; Mikhail V Gorshkov
Journal:  J Am Soc Mass Spectrom       Date:  2013-01-05       Impact factor: 3.109

2.  Ten simple rules for the open development of scientific software.

Authors:  Andreas Prlić; James B Procter
Journal:  PLoS Comput Biol       Date:  2012-12-06       Impact factor: 4.475

3.  Should we have blind faith in bioinformatics software? Illustrations from the SNAP web-based tool.

Authors:  Sébastien Robiou-du-Pont; Aihua Li; Shanice Christie; Zahra N Sohani; David Meyre
Journal:  PLoS One       Date:  2015-03-05       Impact factor: 3.240

4.  Best practices in bioinformatics training for life scientists.

Authors:  Allegra Via; Thomas Blicher; Erik Bongcam-Rudloff; Michelle D Brazas; Cath Brooksbank; Aidan Budd; Javier De Las Rivas; Jacqueline Dreyer; Pedro L Fernandes; Celia van Gelder; Joachim Jacob; Rafael C Jimenez; Jane Loveland; Federico Moran; Nicola Mulder; Tommi Nyrönen; Kristian Rother; Maria Victoria Schneider; Teresa K Attwood
Journal:  Brief Bioinform       Date:  2013-06-25       Impact factor: 11.622

5.  e!DAL--a framework to store, share and publish research data.

Authors:  Daniel Arend; Matthias Lange; Jinbo Chen; Christian Colmsee; Steffen Flemming; Denny Hecht; Uwe Scholz
Journal:  BMC Bioinformatics       Date:  2014-06-24       Impact factor: 3.169

6.  GC4S: A bioinformatics-oriented Java software library of reusable graphical user interface components.

Authors:  Hugo López-Fernández; Miguel Reboiro-Jato; Daniel Glez-Peña; Rosalía Laza; Reyes Pavón; Florentino Fdez-Riverola
Journal:  PLoS One       Date:  2018-09-20       Impact factor: 3.240

Review 7.  The State of Software for Evolutionary Biology.

Authors:  Diego Darriba; Tomáš Flouri; Alexandros Stamatakis
Journal:  Mol Biol Evol       Date:  2018-05-01       Impact factor: 16.240

8.  Simulating Illumina metagenomic data with InSilicoSeq.

Authors:  Hadrien Gourlé; Oskar Karlsson-Lindsjö; Juliette Hayer; Erik Bongcam-Rudloff
Journal:  Bioinformatics       Date:  2019-02-01       Impact factor: 6.937

9.  Improving bioinformatics software quality through incorporation of software engineering practices.

Authors:  Adeeb Noor
Journal:  PeerJ Comput Sci       Date:  2022-01-05
  9 in total

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