Blog posts

2022

A script to replace guests in complexes

2 minute read

Published: June 01, 2022

Why?

A new general molecule aligner in stko

1 minute read

Published: March 19, 2022

Align two stk molecules

mol-ellipsize: Python package for calculating the size of molecules

4 minute read

Published: January 31, 2022

Fit an ellipsoid to points to calculate their size

2021

PoreMapper: Python package for mapping molecular pores

5 minute read

Published: November 06, 2021

A quick and easy way to make blobs and pores