Category Archives: X-ray Crystallography

GEMMI: A Python Cookbook

General MacroMocelecular I/O, or GEMMI, is a C++ 11 header only library for low level crystalographic .

Because its header only it is certainly the easiest to access and use low level crystalographic C++ library, however GEMMI comes with python binding via Pybind11, making it arguably the easiest low level crystalographic library to access and use in python as well!

What follows is a cookbook of useful Python code that uses GEMMI to accomplish macromolecular crystalographic tasks.

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Coronavirus

A zoonosis is an infectious disease that has jumped from a non-human animal to humans.

A painting by David S. Goodsell showing coronavirus in pink and purple. Secreted mucus (greenish threads) and antibodies (yellow/orange Y-shapes), and several small immune systems proteins (orange) from the lungs’ respiratory cells surround it. © 2020, David S. Goodsell.

The coronavirus disease 2019 (COVID-19) is one such zoonosis, and is caused by severe acute respiratory syndrome coronavirus 2 (SARS coronavirus 2, SARS-CoV-2, or 2019-nCoV). This is very similar to the SARS virus that emerged in 2003. Its recent emergence has resulted in a WHO-declared public health emergency of international concern.

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