quickstart#

  • depending on your projects, you will need to install a few apps

  • for example, if you mainly work on small molecules:

    • these are links to the apps homepage

Drug Discovery/Small Molecule

AutoDock Tools

AutoDock Vina

IQmol

Schrodinger Maestro

Protein/PDB/Simulation

ChemDraw

ChimeraX

IQmol

VMD

Suggested Softwares#

setup/visualization

Chimera

ChimeraX

IQmol

PyMol

VMD

Coding in Python

Miniforge3