Examples and tutorials

A template project for analyses utilizing the NMRlipids databank is available in here where examples and templates for analyses are available from the scripts folder.

Plotting basic simulation properties

Plots the basic properties of simulation selected based on its NMRlipids databank ID number. In addition to GitHub, the code can be run at Colab without additional setup, and app is available at Streamlit.

Show ranking tables of simulations based in their quality against experimental data

Shows different kinds of rankings of simulations against experimental data. In addition to GitHub, the code can be run at Colab without additional setup, and app is available at Streamlit.

Template for more advance API usage

Demonstrates the usage of API by three examples. 1) Selects a random simulation and prints the related databank content in human readable format. 2) Shows the readily analyzed properties for the selected random simulation (area per lipid, membrane thickness, relative equilibration times, X-ray scattering form factors, and C-H bond order parameters). 3) Selects a random simulation with the trajectory size below 100Mb and calculates P-N vector angle with respect to membrane normal for all lipids for which P and N atoms are available in headgroup. In addition to GitHub, the code can be run at Colab without additional setup.

Showing statistics from the NMRlipids databank

Plots distributions of simulation lengths, number of atoms and trajectory sizes, distribution of number of lipid components, available single component bilayers and binary lipid mixtures, and pie diagram of temperatures. In addition to GitHub, the code can be run at Colab without additional setup.