Rosetta

The Rosetta software suite includes algorithms for computational modeling and analysis of protein structures.

This tutorial is an extended version of the Blog Rosetta Ligand Docking – Help with Docker. Scroll down to find materials HTML and PDF links.

Tutorial(s)

This tutorial takes advantage of Rosetta Academic Macintosh binaries and Docker Desktop to run the Rosetta Ligand Docking tutorial on Intel or M Silicon Chip Macintoshes. However, users could also use the Docker container on a large Linux cluster such as the Biochemistry cluster or CHTC with help of scheduler HTCondor.

Ligand Docking

The Rosetta Ligand Docking tutorial was last revised approximately 7 years ago for a full Linux implementation.
Update: The tutorial version below takes advantage of “containerization” with Docker as well as the Academic Rosetta binaries distributions for Macintosh, both Intel and M Silicon chips. The original tutorial was modified to use both the Docker container and the local Macintosh binaries.

Ligand Docking with Rosetta using macOS and Docker.

The HTML formats are color-coded for command given within the Docker or the Mac terminal. The HTML format is best for Copy/Paste of commands. PDF formats are also provided for easier printing but do not have the colored backgrounds. All file contain the same text and code.

– HTML, HTML (biocStyle)
– PDF, PDF (biocStyle)
– Docx (default MS Word format)