EMDA: A Python package for Electron Microscopy Data Analysis
An open-source Python library EMDA for cryo-EM map and model manipulation is presented with a specific focus on validation. The architecture of the library and its programmable and command-line interfaces are presented. The use of several functionalities in the library is presented through several examples. The utility of local correlation as a metric for identifying model errors and unmodeled regions in maps, and how it is used as a metric of map-model validation is demonstrated. The mapping of local correlation to individual atoms, and its use to draw insights on local signal variations are discussed. EMDA`s likelihood-based map overlay is demonstrated by carrying out a superposition of two domains in two related structures. The overlay is carried out globally to bring both maps into the same coordinate frame and then locally to estimate the relative movement of domains. Finally, the map magnification refinement in EMDA is presented with an example to highlight the importance of correcting map magnification in structural comparison studies.