Litcius/Paper detail

Integration of Cryo-EM Model Building Software in <i>Scipion</i>

Marta Martínez, Amaya Jiménez-Moreno, David Maluenda, Erney Ramírez-Aportela, Roberto Melero, Ana Cuervo, Pablo Conesa, Laura del Caño, Yunior C. Fonseca, Rubén Sánchez-García, David Střelák, José Javier Conesa, E. Fernández-Giménez, F. de Isidro, Carlos Óscar S. Sorzano, J.M. Carazo, R. Marabini

2020Journal of Chemical Information and Modeling26 citationsDOI

Abstract

Advances in cryo-electron microscopy (cryo-EM) have made it possible to obtain structures of large biological macromolecules at near-atomic resolution. This “resolution revolution” has encouraged the use and development of modeling tools able to produce high-quality atomic models from cryo-EM density maps. Unfortunately, many practical problems appear when combining different packages in the same processing workflow, which make difficult the use of these tools by non-experts and, therefore, reduce their utility. We present here a major extension of the image processing framework Scipion that provides inter-package integration in the model building area and full tracking of the complete workflow, from image processing to structure validation.

Topics & Concepts

WorkflowCryo-electron microscopyComputer scienceSoftwareResolution (logic)Image processingExtension (predicate logic)Data miningImage (mathematics)Software engineeringArtificial intelligenceDatabaseChemistryProgramming languageBiochemistryAdvanced Electron Microscopy Techniques and ApplicationsEnzyme Structure and FunctionRNA and protein synthesis mechanisms