{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "自分の環境に合わせて変える部分↓ \n", "インストールはここを参照https://github.com/jgreener64/Bio3DView.jl \n", "PyCallについてはここの最初の方を参照 https://github.com/JuliaPy/PyCall.jl#installation  " ] }, { "cell_type": "code", "execution_count": 1, "metadata": {}, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ "\u001b[1m\u001b[36mINFO: \u001b[39m\u001b[22m\u001b[36mBuilding Conda\n", "\u001b[39m\u001b[1m\u001b[36mINFO: \u001b[39m\u001b[22m\u001b[36mBuilding PyCall\n", "\u001b[39m\u001b[1m\u001b[36mINFO: \u001b[39m\u001b[22m\u001b[36mPyCall is using /Users/noriakioshita/.pyenv/shims/python (Python 3.5.2) at /Users/noriakioshita/.pyenv/versions/anaconda3-4.0.0/bin/python, libpython = /Users/noriakioshita/.pyenv/versions/anaconda3-4.0.0/lib/libpython3.5m\n", "\u001b[39m\u001b[1m\u001b[36mINFO: \u001b[39m\u001b[22m\u001b[36m/Users/noriakioshita/.julia/v0.6/PyCall/deps/deps.jl has not changed\n", "\u001b[39m\u001b[1m\u001b[36mINFO: \u001b[39m\u001b[22m\u001b[36m/Users/noriakioshita/.julia/v0.6/PyCall/deps/PYTHON has not changed\n", "\u001b[39m" ] } ], "source": [ "ENV[\"PYTHON\"] = \"/Users/noriakioshita/.pyenv/shims/python\"\n", "Pkg.build(\"PyCall\")" ] }, { "cell_type": "code", "execution_count": 2, "metadata": {}, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ "\u001b[1m\u001b[36mINFO: \u001b[39m\u001b[22m\u001b[36mRecompiling stale cache file /Users/noriakioshita/.julia/lib/v0.6/PyCall.ji for module PyCall.\n", "\u001b[39m" ] } ], "source": [ "using Bio3DView" ] }, { "cell_type": "code", "execution_count": 3, "metadata": {}, "outputs": [ { "data": { "text/html": [ "
\n", "" ], "text/plain": [ "PyObject " ] }, "execution_count": 3, "metadata": {}, "output_type": "execute_result" } ], "source": [ "viewpdb(\"2LZM\")" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "ここでダウンロードできるファイルを表示してみる. \n", "https://www.rcsb.org/structure/6ERX" ] }, { "cell_type": "code", "execution_count": 4, "metadata": {}, "outputs": [ { "data": { "text/html": [ "
\n", "" ], "text/plain": [ "PyObject " ] }, "execution_count": 4, "metadata": {}, "output_type": "execute_result" } ], "source": [ "viewfile(\"6erx.pdb\",\"pdb\")" ] }, { "cell_type": "code", "execution_count": 5, "metadata": {}, "outputs": [ { "data": { "text/html": [ "
\n", "" ], "text/plain": [ "PyObject " ] }, "execution_count": 5, "metadata": {}, "output_type": "execute_result" } ], "source": [ "viewfile(\"5ngw.pdb\",\"pdb\")" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "白い玉(専門用語は不明)が表示されないなどあるけれど,PDBのファイルを表示できるのは大きい. \n", "matplotlibなどへの応用もできると尚いい." ] }, { "cell_type": "code", "execution_count": null, "metadata": {}, "outputs": [], "source": [] } ], "metadata": { "kernelspec": { "display_name": "Julia 0.6.2", "language": "julia", "name": "julia-0.6" }, "language_info": { "file_extension": ".jl", "mimetype": "application/julia", "name": "julia", "version": "0.6.2" } }, "nbformat": 4, "nbformat_minor": 2 }