Mendel® SBML Editor User Guide Table of Contents
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Standards and Tools for Model Exchange and Analysis in Systems Biology
Standards and Tools for Model Exchange and Analysis in Systems Biology Ralph Gauges Dissertation submitted to the Combined Faculties for the Natural Sciences and for Mathematics of the Ruperto-Carola University of Heidelberg, Germany for the degree of Doctor of Natural Sciences presented by Diplom-Biochemiker Ralph Gauges born in: Sigmaringen, Germany Oral-examination: 07/11/2011 Standards and Tools for Model Exchange and Analysis in Systems Biology Referees: Prof. Dr. Ursula Kummer Dr. Rebecca Wade Contents Zusammenfassung vii Summary x Abbreviations xvii 1 Introduction 1 2 Materials & Methods 19 2.1 Operating Systems . 19 2.2 Programming Languages . 20 2.3 Unit Testing . 24 2.4 Debugging & Profiling Tools . 26 2.5 Libraries & Standards . 29 3 SBML Layout & Render Extension 46 3.1 SBML & Diagrams . 46 3.2 Alternative Diagram Formats . 47 3.3 Design & History . 49 3.4 The SBML Layout Extension Specification . 51 3.5 Implementation Of The Layout Extension . 57 3.6 The SBML Render Extension . 61 3.7 Third Party Implementations . 86 3.8 The SBML Layout And Render Extension In NF-κB Modeling 87 4 Standards In COPASI 93 4.1 SBML Support In COPASI . 93 4.2 Layout And Render Information In COPASI . 112 4.3 Graphical Display Of Time Course Simulation Data . 115 4.4 Graphical Display Of Elementary Modes . 116 4.5 COPASI Language Bindings . 117 4.6 NF-κB Modeling with COPASI . 120 i ii CONTENTS 4.7 Work Contributions . 128 5 Expression Normalization 130 5.1 Normal Form Classes . 131 5.2 Expression Tree Classes . 137 5.3 Normalization Algorithm . -
Tellurium: a Python Based Modeling and Reproducibility Platform for Systems Biology
bioRxiv preprint doi: https://doi.org/10.1101/054601; this version posted June 2, 2016. The copyright holder for this preprint (which was not certified by peer review) is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under aCC-BY 4.0 International license. Tellurium: A Python Based Modeling and Reproducibility Platform for Systems Biology Kiri Choi ([email protected]),∗†‡ J. Kyle Medley ([email protected]),†‡ Caroline Cannistra ([email protected]),‡ Matthias K¨onig([email protected]),§ Lucian Smith ([email protected]),‡ Kaylene Stocking ([email protected]),‡ and Herbert M. Sauro ([email protected])‡ ‡Department of Bioengineering, University of Washington, Seattle, WA 98195, USA Address: Department of Bioengineering, University of Washington, Box 355061, Seattle, WA 98195-5061, USA; Tel: (+1) 206 685 2119 §Institute for Theoretical Biology, Humboldt University of Berlin, Berlin, Germany Address : Humboldt-University Berlin, Institute for Theoretical Biology Invalidenstraße 43, 10115 Berlin, Germany; Tel: (+49) 30 20938450 keyword: systems biology, reproducibility, exchangeability, simulations, software tools May 20, 2016 ∗To whom correspondence should be addressed †These authors contributed equally to this work 1 bioRxiv preprint doi: https://doi.org/10.1101/054601; this version posted June 2, 2016. The copyright holder for this preprint (which was not certified by peer review) is the author/funder, who has granted bioRxiv a license to display the preprint in perpetuity. It is made available under aCC-BY 4.0 International license. Abstract In this article, we present Tellurium, a powerful Python-based integrated environment de- signed for model building, analysis, simulation and reproducibility in systems and synthetic biology. -
COPASI Documentation VERSION 4.3 (BUILD 25) 1 / 113
COPASI Documentation VERSION 4.3 (BUILD 25) 1 / 113 COPASI Documentation Version 4.3 (Build 25) COPASI Development Team on April 3, 2008 COPASI Documentation VERSION 4.3 (BUILD 25) 2 / 113 COPASI Documentation VERSION 4.3 (BUILD 25) 3 / 113 Contents 1 Model Creation 8 1.1 Introduction . 8 1.2 Commandline Version and Commandline Options . 8 1.3 COPASI GUI Elements . 9 1.4 General Model Settings . 10 1.5 Compartments . 12 1.6 Species . 16 1.7 Reactions . 20 1.8 Global Quantities . 22 1.9 Parameter View . 24 1.10 User Defined Functions . 25 1.11 Sliders . 29 1.12 Tutorial Wizard . 32 2 Output 33 2.1 Predefined Reports . 33 2.2 Output Assistant . 33 2.3 Manual Definition . 34 2.3.1 Reports . 34 2.3.2 Plots . 37 3 Simple Tasks 40 3.1 Steady-State Analysis . 40 3.2 Stoichiometric State Analysis . 41 3.2.1 Elementary Flux Modes . 41 3.2.2 Mass Conservations . 42 3.3 Time Course Simulation . 43 3.3.1 Working with Plots . 45 3.4 Metabolic Control Analysis (MCA) . 46 3.5 Lyapunov Exponents . 47 COPASI Documentation VERSION 4.3 (BUILD 25) 4 / 113 4 Complex Tasks 49 4.1 Parameter Scan . 49 4.2 Optimization . 55 4.3 Parameter Estimation . 57 4.3.1 Experimental Data . 58 4.3.2 Result . 60 4.4 Sensitivity Analysis . 61 5 Importing and Exporting 62 5.1 Importing and Exporting SBML files . 62 5.2 Exporting C Source files . 63 5.3 Exporting Berkeley Madonna files . 65 5.4 Exporting XPPAUT files . -
COPASI Documentation I
COPASI Documentation i COPASI Documentation Version 4.6 (Build 32) COPASI Development Team on August 3, 2010 COPASI Documentation 2 / 131 COPASI Documentation 3 / 131 Contents 1 Model Creation 1 1.1 Introduction . 1 1.2 Commandline Version and Commandline Options . 1 1.3 COPASI GUI Elements . 3 1.4 General Model Settings . 3 1.5 Compartments . 5 1.6 Species . 10 1.7 Reactions . 13 1.8 Global Quantities . 15 1.9 Events . 17 1.9.1 Trigger . 17 1.9.2 Assignment . 17 1.9.3 Delay . 18 1.10 Annotating Models and Model Elements . 19 1.11 Parameter View . 20 1.12 User Defined Functions . 21 1.12.1 Standard Operators . 23 1.12.2 Miscellaneaous Functions . 23 1.12.3 Trigonometric Functions . 24 1.12.4 Random Distribuitions . 24 1.12.5 Logical Operators . 24 1.12.6 Conditional Statement . 25 1.12.7 Parenthesis . 25 1.12.8 Built-in Constants . 25 1.13 Sliders . 26 1.14 Tutorial Wizard . 28 2 Output 30 2.1 Predefined Reports . 30 2.2 Output Assistant . 30 2.3 Manual Definition . 31 2.3.1 Reports . 31 2.3.2 Plots . 34 COPASI Documentation 4 / 131 3 Tasks 37 3.1 Steady-State Analysis . 37 3.2 Stoichiometric State Analysis . 38 3.2.1 Elementary Flux Modes . 38 3.2.2 Mass Conservations . 39 3.3 Time Course Simulation . 40 3.3.1 Working with Plots . 42 3.4 Metabolic Control Analysis (MCA) . 43 3.5 Lyapunov Exponents . 44 3.6 Time Scale Separation . 45 3.7 Parameter Scan .