University of Wisconsin–Madison

Month: January 2020

GENESIS – All-atom Molecular Dynamics Simulation

In 1992 I attended a molecular graphics visualization and simulation somewhere in Texas, organized by Keck. One of the presenter had a movie of molecular dynamics of a protein that forever changed my mental view of  the 3D structure of a protein: the atoms “wiggled” and it made clear with a stunning visual depiction that …

PyMOL 2.x License and updates

PyMOL license needs update Attention PyMOL users. The UW license is set to expire on January 15th, 2020. The license is required for running PyMOL starting with version 2.o and works for now on all updated 2.x versions (currently 2.3.4.) Edit: for Departmental computer Biochem IT is “pushing” the license to departmental computers, hence this …

R/Python/Reproducible Research Workshops on Campus – Winter 2020

Winter 2020 Programming Workshops on Campus In the past years I have offered python 3, R, and RStudio workshops within the Biochem Department (see links below.) R is both a language and a software environment for statistical computing and graphics. R (and other languages) can be used through the amazing RStudio interface for even more performance, ease …