Interactive CPU-based Ray Tracing of Solvent Excluded Surfaces (Unknown language)

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Depictions of molecular surfaces such as the Solvent Excluded Surface (SES) can provide crucial insight into functional molecular properties, such as the molecule's potential to react. The interactive visualization of single and multiple molecule surfaces is essential for the data analysis by domain experts. Nowadays, the SES can be rendered at high frame rates using shader-based ray casting on the GPU. However, rendering large molecules or larger molecule complexes requires large amounts of memory that has the potential to exceed the memory limitations of current hardware. Here we show that rendering using CPU ray tracing also reaches interactive frame rates without hard limitations to memory. In our results large molecule complexes can be rendered with only the precomputation of each individual SES, and no further involved representation or transformation. Additionally, we provide advanced visualization techniques like ambient occlusion opacity mapping (AOOM) to enhance the comprehensibility of the molecular structure. CPU ray tracing not only provides very high image quality and global illumination, which is beneficial for the perception of spatial structures, it also opens up the possibility to visualize larger data sets and to render on any HPC cluster. Our results demonstrate that simple instancing of geometry keeps the memory consumption for rendering large molecule complexes low, so the examination of much larger data is also possible.

Table of contents conference proceedings

The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.

1
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17
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27
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33
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45
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51
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57
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69
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79
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Bernold, Georg / Matkovic, Kresimir / Gröller, Eduard / Raidou, Renata Georgia | 2019
91
A Visual Analytics Approach for Patient Stratification and Biomarker Discovery
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97
MedUse: A Visual Analysis Tool for Medication Use Data in the ABCD Study
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103
Interactive Exploded Views for Molecular Structures
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113
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123
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Weiss, Jakob / Eck, Ulrich / Nasseri, Muhamad Ali / Maier, Mathias / Eslami, Abouzar / Navab, Nassir | 2019
129
Visual Analytics in Digital Pathology: Challenges and Opportunities
Corvò, Alberto / Westenberg, Michel A. / Wimberger-Friedl, Reinhold / Fromme, Stephan / Peeters, Michel M. R. / Driel, Marc A. van / Wijk, Jarke J. van | 2019
145
Medical Animations: A Survey and a Research Agenda
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165
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177
InkVis: A High-Particle-Count Approach for Visualization of Phase-Contrast Magnetic Resonance Imaging Data
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189
Robustness Evaluation of CFD Simulations to Mesh Deformation
Scheid-Rehder, Alexander / Lawonn, Kai / Meuschke, Monique | 2019
201
The Vitruvian Baby: Interactive Reformation of Fetal Ultrasound Data to a T-Position
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207
HIFUpm: a Visual Environment to Plan and Monitor High Intensity Focused Ultrasound Treatments
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213
Hybrid Visualization of Protein-Lipid and Protein-Protein Interaction
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225
Molecular Sombreros: Abstract Visualization of Binding Sites within Proteins
Schatz, Karsten / Krone, Michael / Bauer, Tabea L. / Ferrario, Valerio / Pleiss, Jürgen / Ertl, Thomas | 2019
239
Interactive CPU-based Ray Tracing of Solvent Excluded Surfaces
Rau, Tobias / Zahn, Sebastian / Krone, Michael / Reina, Guido / Ertl, Thomas | 2019
253
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265
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