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Restructure fundamentals directory (#237)
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* Add basics directory to examples and move getting_started.ipynb and nanover_nglview.ipynb to this directory

* Remove nglclient.py from LAMMPS directory and change lammps tutorial to use nanover.nglview module instead

* Change path to NGLView notebook example

* Copy nanotube.xml imput file to local openmm_files directory and change path in getting_started.ipynb
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hjstroud authored Aug 29, 2024
1 parent 5cbe032 commit 8432bcb
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4 changes: 1 addition & 3 deletions examples/ase/basic_example.ipynb
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{
"cell_type": "markdown",
"metadata": {},
"source": [
"You can also visualize it live in the notebook, (check out this [example with NGLView](nanover_nglview.ipynb))."
]
"source": "You can also visualize it live in the notebook, (check out this [example with NGLView](../basics/nanover_nglview.ipynb))."
},
{
"cell_type": "markdown",
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2 changes: 1 addition & 1 deletion examples/ase/openmm_nanotube.ipynb
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"cell_type": "markdown",
"metadata": {},
"source": [
"* The [NGLViewer notebook](nanover_nglview.ipynb) is a smaller notebook designed for visualizing your own simulations.\n",
"* The [NGLViewer notebook](../basics/nanover_nglview.ipynb) is a smaller notebook designed for visualizing your own simulations.\n",
"* Set up an OpenMM simulation with an AMBER file for a [protein-ligand system](openmm_neuraminidase.ipynb) and simulate it in NanoVer\n",
"* Set up a simulation of a [graphene sheet](openmm_graphene.ipynb) with parameters than can be controlled from the jupyter notebook. \n",
"* Visualize an [LSD receptor in a membrane](../mdanalysis/mdanalysis_lsd.ipynb) structure with MDAnalysis and NanoVer "
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},
"outputs": [],
"source": [
"input_xml = \"../openmm/openmm_files/nanotube.xml\"\n",
"input_xml = \"openmm_files/nanotube.xml\"\n",
"nanotube_simulation = OpenMMSimulation.from_xml_path(input_xml)"
]
},
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