{ "cells": [ { "cell_type": "markdown", "metadata": {}, "source": [ "## Network Plotting Examples\n", "\n", "The plotting package allows you to make an interactive CRN plot. Plotting requires the [Bokeh](https://docs.bokeh.org/en/latest/docs/installation.html) and [ForceAtlas2](https://journals.plos.org/plosone/article?id=10.1371/journal.pone.0098679) libraries to be installed on your machine. Bokeh is used for plotting, ForceAtlas2 is used for graph layout. To install, type the following into the consol:\n", "\n", " conda install bokeh\n", " pip install fa2_modified\n", "\n", "Alternatively, follow the installation instructions in the links above.\n", "\n", "\n" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Plotting Example\n", "The CRN plot has a default representation:\n", "* species are circles\n", " - orange circles are RNA species\n", " - blue circles are complexes\n", " - green circles are proteins\n", " - grey circles are DNA\n", " -there's always a purple circle that represents nothing. If your CRN doesn't have reactions that go to nothing, then it won't have any connections.\n", " \n", "* reactions are squares\n", "\n", "Click on a node (either reaction or species) and all arrows including that node will be highlighted\n", "Mouse over a node (either reaction or species) and a tooltip will tell you what it is." ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Create a BioCRNpyler Model\n", "Here we model a DNA assembly with a regulated promoter in a TxTl mixture." ] }, { "cell_type": "code", "execution_count": 1, "metadata": { "tags": [] }, "outputs": [ { "name": "stderr", "output_type": "stream", "text": [ "/Users/murray/Library/CloudStorage/Dropbox/macosx/src/biocrnpyler/biocrnpyler/core/parameter.py:678: UserWarning: parameter file contains no unit column! Please add a column named ['unit', 'units'].\n", " warn(\n" ] }, { "name": "stdout", "output_type": "stream", "text": [ "Species(N = 13) = {\n", " rna[mydna] (@ 10), \n", " found_key=(mech=initial concentration, partid=None, name=mydna).\n", " search_key=(mech=initial concentration, partid=mixture1, name=mydna).\n", "\n", " dna[mydna] (@ 10), \n", " found_key=(mech=initial concentration, partid=None, name=mydna).\n", " search_key=(mech=initial concentration, partid=mixture1, name=mydna).\n", "\n", " complex[protein[Ribo]:rna[mydna]] (@ 0), \n", " complex[protein[RNAase]:rna[mydna]] (@ 0), \n", " protein[laci] (@ 0), \n", " complex[dna[mydna]:2x_protein[laci]] (@ 0), \n", " complex[dna[mydna]:protein[RNAP]] (@ 0), \n", " complex[complex[protein[Ribo]:rna[mydna]]:protein[RNAase]] (@ 0), \n", " complex[complex[dna[mydna]:2x_protein[laci]]:protein[RNAP]] (@ 0), \n", " protein[Ribo] (@ 0), \n", " protein[RNAase] (@ 0), \n", " protein[RNAP] (@ 0), \n", " protein[GFP] (@ 0), \n", "}\n", "\n", "Reactions (12) = [\n", "0. dna[mydna]+protein[RNAP] <--> complex[dna[mydna]:protein[RNAP]]\n", " Kf=k_forward * dna_mydna * protein_RNAP\n", " Kr=k_reverse * complex_dna_mydna_protein_RNAP_\n", " k_forward=100.0\n", " found_key=(mech=None, partid=None, name=kb).\n", " search_key=(mech=transcription_mm, partid=plac_leak, name=kb).\n", " k_reverse=10.0\n", " found_key=(mech=None, partid=None, name=ku).\n", " search_key=(mech=transcription_mm, partid=plac_leak, name=ku).\n", "\n", "1. complex[dna[mydna]:protein[RNAP]] --> dna[mydna]+rna[mydna]+protein[RNAP]\n", " Kf=k_forward * complex_dna_mydna_protein_RNAP_\n", " k_forward=0.05\n", " found_key=(mech=None, partid=None, name=ktx).\n", " search_key=(mech=transcription_mm, partid=plac_leak, name=ktx).\n", "\n", "2. 2protein[laci]+dna[mydna] <--> complex[dna[mydna]:2x_protein[laci]]\n", " Kf=k_forward * protein_laci^2 * dna_mydna\n", " Kr=k_reverse * complex_dna_mydna_protein_laci_2x_\n", " k_forward=100.0\n", " found_key=(mech=None, partid=None, name=kb).\n", " search_key=(mech=one_step_cooperative_binding, partid=plac_laci, name=kb).\n", " k_reverse=10.0\n", " found_key=(mech=None, partid=None, name=ku).\n", " search_key=(mech=one_step_cooperative_binding, partid=plac_laci, name=ku).\n", "\n", "3. complex[dna[mydna]:2x_protein[laci]]+protein[RNAP] <--> complex[complex[dna[mydna]:2x_protein[laci]]:protein[RNAP]]\n", " Kf=k_forward * complex_dna_mydna_protein_laci_2x_ * protein_RNAP\n", " Kr=k_reverse * complex_complex_dna_mydna_protein_laci_2x__protein_RNAP_\n", " k_forward=100.0\n", " found_key=(mech=None, partid=None, name=kb).\n", " search_key=(mech=transcription_mm, partid=plac_laci, name=kb).\n", " k_reverse=10.0\n", " found_key=(mech=None, partid=None, name=ku).\n", " search_key=(mech=transcription_mm, partid=plac_laci, name=ku).\n", "\n", "4. complex[complex[dna[mydna]:2x_protein[laci]]:protein[RNAP]] --> complex[dna[mydna]:2x_protein[laci]]+rna[mydna]+protein[RNAP]\n", " Kf=k_forward * complex_complex_dna_mydna_protein_laci_2x__protein_RNAP_\n", " k_forward=0.05\n", " found_key=(mech=None, partid=None, name=ktx).\n", " search_key=(mech=transcription_mm, partid=plac_laci, name=ktx).\n", "\n", "5. rna[mydna]+protein[Ribo] <--> complex[protein[Ribo]:rna[mydna]]\n", " Kf=k_forward * rna_mydna * protein_Ribo\n", " Kr=k_reverse * complex_protein_Ribo_rna_mydna_\n", " k_forward=100.0\n", " found_key=(mech=None, partid=None, name=kb).\n", " search_key=(mech=translation_mm, partid=UTR1, name=kb).\n", " k_reverse=10.0\n", " found_key=(mech=None, partid=None, name=ku).\n", " search_key=(mech=translation_mm, partid=UTR1, name=ku).\n", "\n", "6. complex[protein[Ribo]:rna[mydna]] --> rna[mydna]+protein[GFP]+protein[Ribo]\n", " Kf=k_forward * complex_protein_Ribo_rna_mydna_\n", " k_forward=0.05\n", " found_key=(mech=None, partid=None, name=ktl).\n", " search_key=(mech=translation_mm, partid=UTR1, name=ktl).\n", "\n", "7. complex[protein[Ribo]:rna[mydna]]+protein[RNAase] <--> complex[complex[protein[Ribo]:rna[mydna]]:protein[RNAase]]\n", " Kf=k_forward * complex_protein_Ribo_rna_mydna_ * protein_RNAase\n", " Kr=k_reverse * complex_complex_protein_Ribo_rna_mydna__protein_RNAase_\n", " k_forward=100.0\n", " found_key=(mech=None, partid=None, name=kb).\n", " search_key=(mech=rna_degradation_mm, partid=complex_protein_Ribo_rna_mydna_, name=kb).\n", " k_reverse=10.0\n", " found_key=(mech=None, partid=None, name=ku).\n", " search_key=(mech=rna_degradation_mm, partid=complex_protein_Ribo_rna_mydna_, name=ku).\n", "\n", "8. complex[complex[protein[Ribo]:rna[mydna]]:protein[RNAase]] --> protein[Ribo]+protein[RNAase]\n", " Kf=k_forward * complex_complex_protein_Ribo_rna_mydna__protein_RNAase_\n", " k_forward=0.001\n", " found_key=(mech=rna_degradation_mm, partid=None, name=kdeg).\n", " search_key=(mech=rna_degradation_mm, partid=complex_protein_Ribo_rna_mydna_, name=kdeg).\n", "\n", "9. rna[mydna]+protein[RNAase] <--> complex[protein[RNAase]:rna[mydna]]\n", " Kf=k_forward * rna_mydna * protein_RNAase\n", " Kr=k_reverse * complex_protein_RNAase_rna_mydna_\n", " k_forward=100.0\n", " found_key=(mech=None, partid=None, name=kb).\n", " search_key=(mech=rna_degradation_mm, partid=rna_mydna, name=kb).\n", " k_reverse=10.0\n", " found_key=(mech=None, partid=None, name=ku).\n", " search_key=(mech=rna_degradation_mm, partid=rna_mydna, name=ku).\n", "\n", "10. complex[protein[RNAase]:rna[mydna]] --> protein[RNAase]\n", " Kf=k_forward * complex_protein_RNAase_rna_mydna_\n", " k_forward=0.001\n", " found_key=(mech=rna_degradation_mm, partid=None, name=kdeg).\n", " search_key=(mech=rna_degradation_mm, partid=rna_mydna, name=kdeg).\n", "\n", "11. rna[mydna] --> \n", " Kf=k_forward * rna_mydna\n", " k_forward=0.1\n", "\n", "]\n" ] } ], "source": [ "from biocrnpyler.core import Species, Reaction\n", "from biocrnpyler.components import DNAassembly, RegulatedPromoter\n", "from biocrnpyler.mixtures import TxTlExtract\n", "\n", "\n", "txtl = TxTlExtract(\"mixture1\", parameter_file = 'default_parameters.txt')\n", "dna = DNAassembly(\"mydna\",promoter=RegulatedPromoter(\"plac\",[\"laci\"]),rbs=\"UTR1\",protein=\"GFP\", initial_concentration = 10)\n", "txtl.add_component(dna)\n", "crn1 = txtl.compile_crn()\n", "crn1.add_reactions([Reaction.from_massaction([Species(\"mydna\",material_type=\"rna\")],[],k_forward=0.1)])\n", "print(crn1.pretty_print())" ] }, { "cell_type": "markdown", "metadata": {}, "source": [ "### Plotting a reaction graph\n", "First we import bokeh in order to plot an interactive graph then use the graphPlot function and the BioCRNpyler.plotting.generate_networkx_graph(crn) function to produce a graph. Mouseover the circles to see which species they identify and the squares to see reactions." ] }, { "cell_type": "code", "execution_count": 2, "metadata": { "tags": [] }, "outputs": [ { "data": { "text/html": [ " \n", "
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