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README.md

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@@ -5,11 +5,11 @@ PyMissense create the plot and modified pdb as shown in the [AlphaMissense paper
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AlphaMissense allows you to identify regions in your amino acid chain that are critical for protein function. This notebook does two things:
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1. It generates a plot similar to Figure 3d of the [AlphaMissense paper](https://www.science.org/doi/10.1126/science.adg7492)
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1. It generates a plot similar to [Figure 3D](https://www.science.org/doi/10.1126/science.adg7492#F3) of the [AlphaMissense paper](https://www.science.org/doi/10.1126/science.adg7492)
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![Alt text](resources/img/fig3d.png)
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![Alt text](resources/img/3d.png)
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2. It creates a modified PDB file where the temperature factor is replaced by the pathogencity predicted by AlphaMissense that allows you to visualize the effect with Chimerax, like Figure 3f of the paper:
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2. It creates a modified PDB file where the temperature factor is replaced by the pathogencity predicted by AlphaMissense that allows you to visualize the effect with Chimerax, like [Figure 3F](https://www.science.org/doi/10.1126/science.adg7492#F3) of the paper:
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![Alt text](resources/img/fig3f.png)
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You can provide the positional argumetn `--pdbpath` if you want to use an experimental PDB, otherwise it will instead download the alphafold predicted PDB. One example could be:
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For example, to reproduce Figure 3D (the middle one) and the generate the PDB shown in Figure 3F do:
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For example, to reproduce [Figure 3D](https://www.science.org/doi/10.1126/science.adg7492#F3) (the middle one) and the generate the PDB shown in [Figure 3F](https://www.science.org/doi/10.1126/science.adg7492#F3) do:
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```
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pymissense Q9UQ13 out --maxacid 200

resources/img/3d.png

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resources/img/fig3d.png

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