Video Tutorials =============== Below is a list of video tutorials made by `Andrew Tarzia`__, which provide a thorough introduction to :mod:`.stk` and :mod:`.stko`. More videos can be found here__. __ https://github.com/andrewtarzia __ https://youtube.com/@andrewtarzia1790 Basics of *stk* --------------- `Video 1`__ is an overview of the 2021 publication covering the capability of :mod:`.stk` and the docs of :mod:`.stk`. The Jupyter notebook is available here__. __ https://www.youtube.com/watch?v=mPr9D7nCQ84&list=PLIWYdPQ9hLzVngMF8NOkiApMtgc_ZwZgO&index=1 __ https://github.com/andrewtarzia/stk-examples/tree/main/notebooks_from_videos Functional Groups in *stk* -------------------------- `Video 2`__ is an overview of defining :class:`.FunctionalGroup` instances in :mod:`.stk`. It includes an example of the versatility of :mod:`.stk` for unique problems. The Jupyter notebook is available here__. __ https://www.youtube.com/watch?v=IaLIN7jXyKQ&list=PLIWYdPQ9hLzVngMF8NOkiApMtgc_ZwZgO&index=2 __ https://github.com/andrewtarzia/stk-examples/tree/main/notebooks_from_videos Cage Building ------------- `Video 3`__ is an overview of organic and metal-organic cage construction in :mod:`.stk`. This example covers how :mod:`.stk` handles isomerism and the concept of hierarchical construction. The Jupyter notebook is available here__. __ https://www.youtube.com/watch?v=sc1Kf6vzTSA&list=PLIWYdPQ9hLzVngMF8NOkiApMtgc_ZwZgO&index=3 __ https://github.com/andrewtarzia/stk-examples/tree/main/notebooks_from_videos Hierarchical Construction with *stk* ------------------------------------ `Video 4`__ expands on the use of hierarchical construction in :mod:`.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__. __ https://www.youtube.com/watch?v=WB9oAqA8m4o&list=PLIWYdPQ9hLzVngMF8NOkiApMtgc_ZwZgO&index=4 __ https://github.com/andrewtarzia/stk-examples/tree/main/notebooks_from_videos Using *stko* with *stk* ----------------------- `Video 5`__ shows the usage of the stko__ package to optimize and calculate the properties of :mod:`.stk` molecules. The Jupyter notebook is available here__. __ https://www.youtube.com/watch?v=vvmS43dVPe4&list=PLIWYdPQ9hLzVngMF8NOkiApMtgc_ZwZgO&index=5 __ https://github.com/JelfsMaterialsGroup/stko __ https://github.com/andrewtarzia/stk-examples/tree/main/notebooks_from_videos Databases and *stk-vis* in *stk* -------------------------------- `Video 6`__ is a short introduction to databasing and the use of *StkVis* with :mod:`.stk` molecules! The Jupyter notebook is available here__. __ https://www.youtube.com/watch?v=ESfmmLpHVmE&list=PLIWYdPQ9hLzVngMF8NOkiApMtgc_ZwZgO&index=6 __ https://github.com/andrewtarzia/stk-examples/tree/main/notebooks_from_videos Host-Guest Conformers with *stk* -------------------------------- `Video 7`__ shows an example of the generation of :mod:`.stk` host-guest complexes using the software SpinDry__. The Jupyter notebook is available here__. __ https://www.youtube.com/watch?v=1BBhPeIRV_E&list=PLIWYdPQ9hLzVngMF8NOkiApMtgc_ZwZgO&index=7 __ https://github.com/andrewtarzia/SpinDry __ https://github.com/andrewtarzia/stk-examples/tree/main/notebooks_from_videos Swapping Hosts and Guests in Complexes -------------------------------------- `The new video`__ shows an example of loading an existing host-guest complex into :mod:`.stk`, extracting the different molecules (with :mod:`networkx`), and then building new complexes from that. The code is available here__. __ https://youtu.be/J29eoc9CZ98?si=vOEH45GPp_W0f5k4 __ https://github.com/andrewtarzia/stk-examples/blob/main/replace_guest/replace_guest.py Processing *stk* building blocks before construction ---------------------------------------------------- `This video`__ shows the use of the new :mod:`bbprepared` library__ that helps to process automatically generated :mod:`stk` BuildingBlock conformers to be better fit for construction. __ https://youtu.be/dbQwhlpf5Jc?si=7l9Y_ISEmFlY2FtV __ https://github.com/andrewtarzia/bbprepared