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Intranet | Team Meeting 2011

Team Meeting 2011

Thursday July 21


  • 9:30 - 11:00 Updates
    • Manchester:
      • Linear Noise Approximation code in HEAD, paper submitted, prepare for releases.
      • Condor-COPASI: Code available at: http://code.google.com/p/condor-copasi/, paper in preparation.
      • COPASI maintenance grant submitted to BBSRC.
      • BioPreDyn FP7 Johannes Jaeger lead effort developing methods for systems biology, large scale models, parameter estimation methods.
      • Multi-scale simulator, Agent based, SQL Database, COPASI Webservice as agent, asynchronous
      • SBRML libsbrml under development target version 1.0 October 2011
      • Comparison Parameter estimation method COPASI/Gepasi.
    • Heidelberg:
      • Work on improving time scale separation result.
      • Non Linear Dynamic update afternoon
      • Research, comparison, debugging of Parameter Estimation.
      • SBML export L1V1 in HEAD
      • Diagram, automated layout, modification, CellDesigner import, movie export, EFM display, dynamic reaction fluxes (where to get the data).
      • Ralph has a Ph.D.
    • VBI
      • Continue Removing Qt 3 dependencies.
      • GUI Improvement
      • New Stochastic hybrid with take into account deterministic changes on stochastic system
      • New stochastic hybrid using Quasi Steady State Assumption.
      • Release 13 July
      • Work on Math Model detail afternoon.
  • 11:00 - 11:30 Parameter bounds for Parameter Estimation
  • 11:30 - 12:30 Collaboration
    • Manchester:
      • Physics: Multi compartment linear noise approximation and time-resolved.
      • see Johannes Jaeger above.
      • Edda Klipp Parameter balancing
    • Heidelberg:
      • Exchange of ideas with Jens Timmer groups on parameter estimation.
    • VBI:
      • John Tyson: Multi-state protein Model interface and simulation in COPASI
      • VT CS + Herbert Sauro: Grant submited to NSF SI^2
      • Modeling collaboration with MIEP (http://modelingimmunity.org/)
  • 1:30 Non Linear Dynamics
    • Cross Section, Return Maps, implementation option:
      1. Modify model by adding event to detect the hypersurface
      2. Deriving method from CTrajectoryMethod preferred since it allows the efficient use as sub task.
      3. Special Task
      4. Input
        1. Hyper surface: object, value, direction
        2. End Time
        3. Max number Crossing
    • Continuation
      1. Find existing library or algorithms: http://trilinos.sandia.gov/packages/nox/
    • Bifurcation

  • 2:30 Math Model
  • 3:30 Multi-Threading
  • 4:00 Differentiation
    • Symmetric vs asymmetric: switch to symmetric fall back to asymmetric if fails.
    • Initial step size 1e-8 for function evaluation, 1e-3 for simulation results
    • Integrate sensitives for time course experiments.

Friday July 22

  • 9:00 Parameter Estimation
    • Comparison between Gepasi and COPASI. Issues in Truncated Newton, SRES, Evolutionary Programming and Simulated Annealing?.
    • Make test cases available in the intranet.
    • Option for output of all function evaluations.
    • Sigma Point Method
    • Multiple Shooting (http://en.wikipedia.org/wiki/Direct_multiple_shooting_method)
    • Enable Validation
  • 10:00 Front End
    • Improve preferences
      • Include Random Generator and Seed
      • Use a specialized widget instead of tree.
      • Include Font
    • Remove tool and button State to Initial State
    • Convert Tabs to Selection Box where appropriate eg in Plots
  • GUI improvements:
    • General
      • fill empty spaces in widgets (tables should fill space vertically)
      • DONE unify button layout of CCopasiWidget derivatives ("Commit", "Revert",...), buttons should be divided into left and right aligned group
      • move units behind input fields
      • DONE remove separator line between the buttons and the rest from all widgets
      • add "wait" cursors whereever needed
      • DONE loading a model when in the annotation (or notes tab) will display the annotation (or notes) of the loaded model after load -> reset tabs status when loading a model
      • hide all method parameters behind a button
      • boolean values in parameter widgets should be displayed as a checkbox
      • show parameters for subtasks with parameters of complex tasks
      • have separate sets of options for subtasks in complex tasks
      • add "copy" button to "new" and "delete" buttons where applicable, e.g. functions, species, reactions, (compartment)
      • DONE when clicking on a species or reaction in the tree view, COPASI scrolls to the top sometimes
    • Model Widget
      • DONE Change "Rate Law Interpreation" & combo box to checkbox "Apply Stochastic Correction to Kinetic Laws".
    • Compartment Widget: see general
      • DONE Change "Compartment Name" to "Name" and "Contained Metabolites" to "Metabolites"
      • "DONE Use Initial Expression" checkbox -> "Initial Expression" checkbox
      • add "affected by events" table
    • Species Widget:
      • DONE "Use Initial Expression" checkbox -> "Initial Expression" checkbox
      • add list of events that affect the species
    • Reaction Widget:
      • DONE unify/fix button layout
      • DONE Change label Chemical Equation to Reaction
    • Global Quantities:
      • add "affected by events" table
    • Events:
      • DONE Disable "expression" Box instead of hiding it
      • DONE "Trigger Expression" Box and "expression" Box are too large
      • DONE Replace radio button by combo box -> "Calculate at assignment time" & "Calculate at trigger time"
      • DONE align the delay checkbox with the "expression" box
    • parameter overview:
      • DONE move title and save button above the table
      • DONE add value for global parameters
      • DONE (save data) exports the model values with "space" separators instead of "tab"
      • DONE (save data) exported parameters are not ordered as the GUI display
    • ODE display:
      • DONE white background
      • DONE PNG export with transparent background
      • Content MathML export
    • matrices widget:
    • diagram widget:
      • DONE table is too small
      • enable the disabled buttons
    • Task branch in tree should have a widget that displays common settings like "update model" or "activated"
    • Steady State Widget:
      • remove calculate Jacobian -> is done automatically anyway (only do this if the calculation of the Jacobian has no significant influence on calculation time)
    • Steady State Results:
      • Combine the Complete and Reduced Jacobian and make the selection between the two in the table
      • DONE Move "Stability" tab before "Jacobian"
    • Elementary Flux Mode Widget:
      • DONE remove separator line after title
      • allow people to "make species fixed"???
      • allow people to change the "reversibility" of reactions???
    • Elementary Flux Mode Result:
      • DONE "Filter Expression" -> "Search"
      • Search in tables as well -> move search field above tabs
    • Mass Conservation:
    • Mass Conservation Result:
    • Time Course:
      • DONE find a way to make it apparent that the feedback widgets are not editable, e.g. use label background, label foreground
      • do stability analysis for time course -> add checkbox
    • Time Course Result:
      • add Tab for Fluxes, Stability & Jacobian
    • MCA:
    • MCA Result:
      • DONE change the "Bars" button to a changing pictogram
      • add bitmap view option
      • tweak table layout
    • Lyapunov Exponents
    • Lyapunov Exponents Result
      • DONE layout needs tweaking
    • Time Scale Separation Analysis
    • Time Scale Separation Analysis Results
      • DONE replace radio buttons by the actual time and frame number values
      • DONE save data to file needs to be behind title
      • DONE rename button to "save data"
    • Parameter Scan
      • DONE decrease padding around items
      • DONE remove exclamation mark from "...Create!" button
    • Optimization
      • hide only a subset of the parameters
      • shorten parameter names & show complete name on tooltip
      • display parameters similar to Gepasi -> better use of space
      • layout of expression widget needs tweaking
      • don't use +-infinity as defaults, 10e-6 - 10e6
      • check for duplicate parameters
    • Optimization Result
      • DONE add range and original value to table
      • graphical display of result and minimum and maximum within a range bar
    • Parameter Estimation
      • see optimization
      • move the "Duplicate for each Experiment" button and change the text, e.g. "multiply" (Q: Where is the best place to move the button?)
    • Parameter Estimation Result
      • see optimization
    • Parameter Estimation Experimental Data
      • enforce uniform data structure per file -> get rid of some of the widgets
      • check for errors only on OK button press
    • Sensitivities
      • DONE rename "Function" and "Variable" to "Effect" and "Cause"
      • DONE add tooltip to explain "Effect" and "Cause"
      • add functionality to select set of objects for the "Effect" and the "Cause"
    • Sensitivities Results
      • see MCA result
    • Output Specifications
    • Plots table:
      • DONE activate all/deactivate all
    • Plots
      • DONE tabs need to go -> list view
      • DONE put type and log checkboxes into one line
    • Reports
      • DONE rename to report templates
      • associate files with reports in report definition???
      • DONE change "ReportDefinition" to "Template" and "Target" to "Filename"
    • Functions
      • DONE add copy functionality
      • DONE remove separator line above buttons
      • DONE fix button layout
      • annotation of predefined functions
      • paste Gepasi function documentation into notes field of functions
      • DONE make "General" lower case
    • DONE add windows menu to menubar to display all COPASI windows
    • make plot/report task aware, e.g. associate them with one or more taks so that they only get done for these tasks
    • tree:
      • add "hover" feature that displays the elements children
    • tables:
      • add "hover" for table cells and headers that display the full cell content
      • usability: new elements can not be entered continuously, user has to click last entry to enter next element
    • annotations:
      • DONE create links that lead to the database
    • Output assistant
      • DONE add more items
      • DONE only display relevant output items
      • remove the "empty" item
      • DONE remove exclamation mark from "Create!" button
      • DONE shorten names (e.g. remove "Plots of" from titles
      • check for event targets for "variable" plots
      • add tabs for plots and reports


  • 11:30 New features
  • 12:00 - 12:30 Website and Outreach


  • 2:00 JigCell/Multi State Species
  • 3:00 Events