#
molden
Here are 5 public repositories matching this topic...
A simple Computational Chemistry script written in Python to calculate bond lengths, BLA value (Bond Length Alternation), center of masses (CoM), distances between center of masses and bond angles of the given molecules and bonds, starting from a standard .xyz geometry file.
-
Updated
Dec 26, 2021 - Python
Simple program to calculate Hydrogen Bonds
-
Updated
Apr 26, 2020 - Python
Remove the need to click the Skull Icon to leave Molden
-
Updated
Oct 2, 2023
Improve this page
Add a description, image, and links to the molden topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the molden topic, visit your repo's landing page and select "manage topics."