3D Modelling and Visualisation of Heterogeneous Cell Membranes in Blender

Chlamydomonas reinhardtii cells have been in the focus of research for more than a decade, in particular due to its use as alternative source for energy production. However, the molecular processes in these cells are still not completely known, and 3D visualisations may help to understand these complex interactions and processes. In previous work, we presented the stereoscopic 3D (S3D) visualisation of a complete Chlamydomonas reinhardtii cell created with the 3D modelling framework Blender. This animation contained already a scene showing an illustrative membrane model of the thylakoid membrane. During discussion with domain experts, shortcomings of the visualisation for several detailed analysis questions have been identified and it was decided to redefine it. A new modelling and visualisation pipeline based on a Membrane Packing Algorithm was developed, which can be configured via a user interface, enabling the composition of membranes employing published material. An expert user study was conducted to evaluate this new approach, with half the participants having a biology and the other half having an informatics background. The new and old Chlamydomonas thylakoid membrane models were presented on a S3D back projection system. The evaluation results reveal that the majority of participants preferred the new, more realistic membrane visualisation. However, the opinion varied with the expertise, leading to valuable conclusions for future visualisations. Interestingly, the S3D presentation of molecular structures lead to a positive change in opinion regarding S3D technology.

[1]  Ralf Hofestädt,et al.  Heuristic Modeling and 3D Stereoscopic Visualization of a Chlamydomonas reinhardtii Cell , 2018, J. Integr. Bioinform..

[2]  S. Singer,et al.  The fluid mosaic model of the structure of cell membranes. , 1972, Science.

[3]  José Mario Martínez,et al.  PACKMOL: A package for building initial configurations for molecular dynamics simulations , 2009, J. Comput. Chem..

[4]  Achilleas S. Frangakis,et al.  3D Ultrastructural Organization of Whole Chlamydomonas reinhardtii Cells Studied by Nanoscale Soft X-Ray Tomography , 2012, PloS one.

[5]  Scott B. Baden,et al.  Fast Monte Carlo Simulation Methods for Biological Reaction-Diffusion Systems in Solution and on Surfaces , 2008, SIAM J. Sci. Comput..

[6]  Anja Doebbe,et al.  Identification of Monoraphidium contortum as a promising species for liquid biofuel production. , 2013, Bioresource technology.

[7]  Claudia Caudai,et al.  BioBlender: Fast and Efficient All Atom Morphing of Proteins Using Blender Game Engine , 2010, 1009.4801.

[8]  Marc Baaden,et al.  UnityMol: Interactive scientific visualization for integrative biology , 2014, 2014 IEEE 4th Symposium on Large Data Analysis and Visualization (LDAV).

[9]  Jens Krüger,et al.  CELLmicrocosmos 2.2 MembraneEditor: A Modular Interactive Shape-Based Software Approach To Solve Heterogeneous Membrane Packing Problems , 2011, J. Chem. Inf. Model..

[10]  Carsten Kutzner,et al.  GROMACS 4:  Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation. , 2008, Journal of chemical theory and computation.

[11]  Teresa M. Mata,et al.  Microalgae for biodiesel production and other applications: A review , 2010 .

[12]  Y. Chisti Biodiesel from microalgae. , 2007, Biotechnology advances.

[13]  Ralf Hofestädt,et al.  Subcellular Localization Charts: a New Visual Methodology for the Semi-Automatic Localization of protein-Related Data Sets , 2013, J. Bioinform. Comput. Biol..

[14]  J. Benemann,et al.  Look Back at the U.S. Department of Energy's Aquatic Species Program: Biodiesel from Algae; Close-Out Report , 1998 .

[15]  David S. Goodsell,et al.  Instant Construction and Visualization of Crowded Biological Environments , 2018, IEEE Transactions on Visualization and Computer Graphics.

[16]  Jeffery B. Klauda,et al.  CHARMM-GUI Membrane Builder for mixed bilayers and its application to yeast membranes. , 2009, Biophysical journal.

[17]  Paul Green-Armytage,et al.  A Colour Alphabet and the Limits of Colour Coding , 2010 .

[18]  Jacob D. Durrant,et al.  Pyrite: A blender plugin for visualizing molecular dynamics simulations using industry‐standard rendering techniques , 2018, J. Comput. Chem..

[19]  Björn Sommer,et al.  Membrane Packing Problems: A short Review on computational Membrane Modeling Methods and Tools , 2013, Computational and structural biotechnology journal.

[20]  Hyeon Joo,et al.  OPM database and PPM web server: resources for positioning of proteins in membranes , 2011, Nucleic Acids Res..

[21]  Mark A. Scaife,et al.  Algal biofuels in Canada: status and potential. , 2015 .

[22]  Thomas Ertl,et al.  MegaMol—A Prototyping Framework for Particle-Based Visualization , 2015, IEEE Transactions on Visualization and Computer Graphics.

[23]  David S. Goodsell,et al.  ePMV embeds molecular modeling into professional animation software environments. , 2011, Structure.

[24]  A. Boschetti,et al.  Isolation of chloroplast envelopes from Chlamydomonas. Lipid and polypeptide composition , 1985 .

[25]  Tobias Hoppe,et al.  Stereoscopic cell visualization: from mesoscopic to molecular scale , 2014, J. Electronic Imaging.

[26]  David S. Goodsell,et al.  3D molecular models of whole HIV-1 virions generated with cellPACK , 2014, Faraday discussions.