{ "cells": [ { "cell_type": "markdown", "id": "b74076d1-4492-47f2-82ed-048ac5ba6bda", "metadata": {}, "source": [ "# Basic Example\n", "\n", "## Importing packages\n", "\n", "You first need to import the `af_analysis` package:" ] }, { "cell_type": "code", "execution_count": null, "id": "28581650-315a-453e-858e-37e36846c74f", "metadata": { "editable": true, "slideshow": { "slide_type": "" }, "tags": [ "hide-input", "remove-input" ] }, "outputs": [], "source": [ "DATA_PATH = '../../../tests/inputs/beta_amyloid_dimer_cf_1.5.5/'\n", "\n", "%matplotlib inline" ] }, { "cell_type": "markdown", "id": "21cf6f92-76f2-436c-838b-fb44fbdf6241", "metadata": {}, "source": [ "## Importing Alphafold Data \n", "\n", "To import your data, create a `af_analysis.Data` object by giving the path of Alphafold directorie:" ] }, { "cell_type": "code", "execution_count": 2, "id": "3894d8c4-51e6-47e8-82a1-62dc3debbc31", "metadata": {}, "outputs": [ { "data": { "application/vnd.jupyter.widget-view+json": { "model_id": "ef0dcd922d2049de8105e2710cf75040", "version_major": 2, "version_minor": 0 }, "text/plain": [ " 0%| | 0/40 [00:00, ?it/s]" ] }, "metadata": {}, "output_type": "display_data" }, { "data": { "application/vnd.jupyter.widget-view+json": { "model_id": "74cb2abd063344be8852d7ee22d227d9", "version_major": 2, "version_minor": 0 }, "text/plain": [ " 0%| | 0/40 [00:00, ?it/s]" ] }, "metadata": {}, "output_type": "display_data" } ], "source": [ "DATA_PATH = '../../../src/af_analysis/test/inputs/beta_amyloid_dimer_cf_1.5.5/'\n", "my_data = af_analysis.Data(DATA_PATH)" ] }, { "cell_type": "markdown", "id": "4c4933b1-3d7e-4d50-9cf9-56dc599cfd90", "metadata": {}, "source": [ "You now have access to a pandas `DataFrame` containing all models:" ] }, { "cell_type": "code", "execution_count": 3, "id": "77e5221a-9012-428b-9087-fa3b08f95169", "metadata": {}, "outputs": [ { "data": { "text/html": [ "
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