Скачать или смотреть Tutorial 03 | Separating CREST Conformers & Making Input Files with Python Scripts

Welcome to Tutorial 03 of the Conformational Analysis Series! 🐍
In this video, I show you how to separate the conformers generated by CREST using my custom Python scripts (available on GitHub). After separating the conformers, I also demonstrate how to automatically generate input files for further optimization and property calculations using another Python script from my repository.

Link to my repository: https://github.com/i4hashmi/Python_Sc...

✅ What you’ll learn in this tutorial:

How to separate conformers from CREST results
Using custom Python scripts for automation
Preparing input files for DFT and property calculations
Streamlining your conformational analysis workflow

👉 Don’t miss the next tutorials on DFT optimization, NMR predictions, and Boltzmann averaging!
__________________________________________________________________________
✅ 📲 Follow & Connect with Dr. M. A. Hashmi:
🌐 Website: https://comp-chem.netlify.app/
📘 Facebook: facebook.com/muhammadali.hashmi.33
📸 Instagram: instagram.com/hashmi_photography

🔔 Subscribe for more videos on computational chemistry, DFT, Gaussian tutorials, molecular simulations, and academic insights!

#DensityFunctionalTheory #DFT #ComputationalChemistry #DrMAHashmi