University of Wisconsin–Madison

Category: PowerShell

No GUI PyMOL – computing distances for thousands of PDB files from Rosetta

Summary We run a script to compute the distance between 2 atoms in a series of PDB files with identical molecules in different conformations and save the distance results into a plain text file. No GUI PyMOL In previous posts I explained how we can use PyMOL as a command-line tool from a Terminal when …

PowerShell – an opinionated primer

PowerShell One day I discovered that there was a Windows App called “PowerShell” while searching on my Windows 10 installation. I did not pay much attention to it even if I stumbled upon it a few times since. It seems that the early versions were present already in Windows 7, so in that sense it …