Video Tutorials
Below is a list of video tutorials made by Andrew Tarzia, which
provide a thorough introduction to stk. More videos can be found
here.
Basics of stk
Video 1 is an overview of the 2021 publication covering the
capability of stk and the docs of stk. The
Jupyter notebook is available here.
Functional Groups in stk
Video 2 is an overview of defining FunctionalGroup
instances in stk. It includes an example of the versatility of
stk for unique problems. The Jupyter notebook is available
here.
Cage Building
Video 3 is an overview of organic and metal-organic cage
construction in stk. This example covers how stk
handles isomerism and the concept of hierarchical construction. The
Jupyter notebook is available here.
Hierarchical Construction with stk
Video 4 expands on the use of hierarchical construction in
stk. It includes an implementation of the example from the
2021 publication and the construction of a rotaxane/cage hybrid!
The Jupyter notebbok is available here.
Using stko with stk
Video 5 shows the usage of the stko package to optimize and
calculate the properties of stk molecules. The Jupyter
notebook is available here.
Databases and stk-vis in stk
Video 6 is a short introduction to databasing and the use of
StkVis with stk molecules! The Jupyter notebook is
available here.
Host-Guest Conformers with stk
Video 7 shows an example of the generation of stk
host-guest complexes using the software SpinDry. The Jupyter
notebook is available here.
Swapping Hosts and Guests in Complexes
The new video shows an example of loading an existing host-guest
complex into stk, extracting the different molecules
(with networkx), and then building new complexes from that.
The code is available here.
Processing stk building blocks before construction
This video shows the use of the new bbprepared library
that helps to process automatically generated stk BuildingBlock
conformers to be better fit for construction.