{"repo":"pharmai/plip","free":true,"listed":false,"github":"https://github.com/pharmai/plip","clone":"git clone https://github.com/pharmai/plip.git","description":"Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake, Bolz, et al. (2025), https://doi.org/10.1093/nar/gkaf361","language":"Python","stars":710,"topics":["scientific-computing","bioinformatics","protein-structure","plip","singularity","python-bindings","openbabel","pdb","docker"],"license":"GPL-2.0","category":"deployment-docker-iac","readme_excerpt":"Protein-Ligand Interaction Profiler (PLIP) Analyze noncovalent protein-ligand interactions in 3D structures with ease. Use Case Web Server Docker Singularity Python Module Colab --------------------------------------------------------------------------- -------------------- -------------------- -------------------- -------------------- -------------------- \"I want to analyze my protein-ligand complex!\" :heavy check mark: :heavy check mark: :yellow circle: :x: :heavy check mark: \"I want to analyze a billion protein-ligand complexes!\" :x: :yellow circle: :heavy check mark: :yellow circle: :x: \"I love the Linux command line and want to build a workflow around PLIP!\" :x: :heavy check mark: :heavy check mark: :yellow circle: :x: \"I'm a Python programmer and want to use PLIP in my project!\" :x: :yellow circle: :yellow circle: :heavy check mark: :yellow circle: \"I want to analyze large complexes!\" :x: :heavy check mark: :heavy check mark: :heavy check mark: :heavy check mark: --- Quickstart Docker If you have Docker installed, you can run a PLIP analysis for the structure 1vsn with the following shell command: On Linux / MacOS: On Windows: Singularity The equivalent command for our pre-built Singularity image for Linux (available under Releases) is as follows: Singularity allows to use PLIP with ease in HPC environments. Note that you need to have Singularity installed on your base system. Google Colab PLIP is available as a Google Colab to be used without the need to install it loc","default_branch":null,"files":null,"tree":[],"storefront":"/r/pharmai","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/pharmai/plip/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}