Skip to content

Instantly share code, notes, and snippets.

View andrewtarzia's full-sized avatar

Andrew Tarzia andrewtarzia

44 followers · 40 following
View GitHub Profile
@andrewtarzia
andrewtarzia / databasing.py
Created November 20, 2023 16:44
Script for databasing video.
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:
@andrewtarzia
andrewtarzia / cage_analysis.py
Created November 20, 2023 16:42
Script for cage analysis video.
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
furnished to do so, subject to the following conditions:
The above copyright notice and this permission notice shall be included in all
@andrewtarzia
andrewtarzia / topology_extraction.py
Last active November 15, 2023 17:42
Extract topologies from stk molecules
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
@andrewtarzia
andrewtarzia / run_poremapper.py
Last active November 15, 2023 17:42
Run PoreMapper on stk molecules
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
@andrewtarzia
andrewtarzia / replace_guest.py
Last active November 15, 2023 17:42
Replace guests in host-guest complexes
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
@andrewtarzia
andrewtarzia / molellipsize_stk.py
Last active November 15, 2023 17:41
Get MolEllipsize of an stk molecule
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
@andrewtarzia
andrewtarzia / bbprep_tutorial.py
Last active May 4, 2024 06:34
bbprepared tutorial code
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
@andrewtarzia
andrewtarzia / molecule_alignment.py
Last active November 15, 2023 17:41
Align a molecule with stk and stko
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is
@andrewtarzia
andrewtarzia / varese_french_king_colours.py
Last active November 15, 2023 17:41
Colours I like from Varese Walls and other sources
"""
MIT License
Copyright (c) 2023 Andrew Tarzia
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated documentation files (the "Software"), to deal
in the Software without restriction, including without limitation the rights
to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
copies of the Software, and to permit persons to whom the Software is