[ { "id": "da_cunha_melo-2023-c3m", "type_id": "masterthesis", "tu_id": null, "repositum_id": "20.500.12708/189341", "title": "Constraint-Based 3D Manipulation for Molecular Modelling on the Web", "date": "2023", "abstract": "Computer-Aided Molecular Design (MolCAD), or molecular modelling, is the computational design and manipulation of molecular structures. This field is experiencing a surge in interest and development, where the focus is often on advanced visualization techniques. However, existing MolCAD tools often lack the level of usability and efficient interaction commonly found in traditional CAD software. This thesis addresses this gap through three methods: (1) a survey of established CAD and MolCAD literature and software, (2) the implementation of identified promising interaction techniques; and (3) case studies to validate their effectiveness.As a result of this process, two interaction techniques are implemented in a web-based environment: a PCA-based alignment tool, and a real-time collision detection system. The decision to implement these tools for the web was made with the aim to provide ease of accessibility and deployment across various platforms, as no installation is required.The case studies conducted were aimed at validating these two implemented approaches. The real-time collision detection system received positive feedback, and showed great potential to make the MolCAD process less frustrating and more efficient. The PCA- based alignment tool, however, received mixed responses, indicating areas for future work. Nonetheless, both features demonstrate the potential to improve user satisfaction and efficiency in MolCAD.", "authors_et_al": false, "substitute": null, "main_image": null, "sync_repositum_override": null, "repositum_presentation_id": null, "authors": [ 1610 ], "doi": "10.34726/hss.2023.104307", "open_access": "yes", "pages": "84", "supervisor": [ 1110 ], "research_areas": [], "keywords": [ "Molecular Modeling", "Visualization", "Constraint-Based Interaction", "Collision Detection", "WebGPU" ], "weblinks": [], "files": [ { "description": null, "filetitle": "thesis", "main_file": true, "use_in_gallery": false, "access": "public", "name": "da_cunha_melo-2023-c3m-thesis.pdf", "type": "application/pdf", "size": 2851536, "path": "Publication:da_cunha_melo-2023-c3m", "url": "https://www.cg.tuwien.ac.at/research/publications/2023/da_cunha_melo-2023-c3m/da_cunha_melo-2023-c3m-thesis.pdf", "thumb_image_sizes": [ 16, 64, 100, 175, 300, 600 ], "thumb_url": "https://www.cg.tuwien.ac.at/research/publications/2023/da_cunha_melo-2023-c3m/da_cunha_melo-2023-c3m-thesis:thumb{{size}}.png" } ], "projects_workgroups": [], "url": "https://www.cg.tuwien.ac.at/research/publications/2023/da_cunha_melo-2023-c3m/", "__class": "Publication" }, { "id": "Melo_2018_11", "type_id": "bachelorthesis", "tu_id": null, "repositum_id": null, "title": "Transfer Function Widget for Tri-Modal Volume Exploration", "date": "2018-11-06", "abstract": "Volumetric visualization is an essential tool in medical studies and materials science, as it enables the analysis and exploration of the inner structure of objects. With the introduction of new equipment and techniques, the datasets become more complex, making it an increasingly common task in material analysis to handle three modalities at once. For instance, a single industrial computed-tomography scan of an object can\noutput absorption contrast, differential phase contrast and dark-field contrast volumes (modalities). However, modern software is falling behind with these advancements, as they still do not provide dedicated tools for this use. This thesis aims to test the feasibility of a transfer function user interface for tri-modal datasets, with a focus on usability, taking\ninto consideration the needs of material analysis experts. The development process (from the initial concepts to a software prototype) is described, and the resulting tool, developed as a module for open_iA (a visual analysis and volumetric processing application), is presented. It uses the standard 1D color-opacity transfer function for each modality together with a barycentric coordinates method to blend the three modalities together.\nFor the modalities of an industrial computed-tomography dataset (absorption contrast, differential phase contrast and dark-field contrast), the tool can successfully accelerate and facilitate volume exploration.", "authors_et_al": false, "substitute": null, "main_image": { "description": null, "filetitle": "image", "main_file": true, "use_in_gallery": true, "access": "public", "image_width": 248, "image_height": 247, "name": "Melo_2018_11-image.PNG", "type": "image/png", "size": 27476, "path": "Publication:Melo_2018_11", "url": "https://www.cg.tuwien.ac.at/research/publications/2018/Melo_2018_11/Melo_2018_11-image.PNG", "thumb_image_sizes": [ 16, 64, 100, 175, 300, 600 ], "thumb_url": "https://www.cg.tuwien.ac.at/research/publications/2018/Melo_2018_11/Melo_2018_11-image:thumb{{size}}.png" }, "sync_repositum_override": null, "repositum_presentation_id": null, "authors": [ 1610 ], "date_end": "2018-11-06", "date_start": "2018-03-01", "matrikelnr": "01429462", "supervisor": [ 166 ], "research_areas": [ "IllVis" ], "keywords": [], "weblinks": [], "files": [ { "description": null, "filetitle": "Bachelor Thesis", "main_file": false, "use_in_gallery": false, "access": "public", "name": "Melo_2018_11-Bachelor Thesis.pdf", "type": "application/pdf", "size": 15012365, "path": "Publication:Melo_2018_11", "url": "https://www.cg.tuwien.ac.at/research/publications/2018/Melo_2018_11/Melo_2018_11-Bachelor Thesis.pdf", "thumb_image_sizes": [ 16, 64, 100, 175, 300, 600 ], "thumb_url": "https://www.cg.tuwien.ac.at/research/publications/2018/Melo_2018_11/Melo_2018_11-Bachelor Thesis:thumb{{size}}.png" }, { "description": null, "filetitle": "image", "main_file": true, "use_in_gallery": true, "access": "public", "image_width": 248, "image_height": 247, "name": "Melo_2018_11-image.PNG", "type": "image/png", "size": 27476, "path": "Publication:Melo_2018_11", "url": "https://www.cg.tuwien.ac.at/research/publications/2018/Melo_2018_11/Melo_2018_11-image.PNG", "thumb_image_sizes": [ 16, 64, 100, 175, 300, 600 ], "thumb_url": "https://www.cg.tuwien.ac.at/research/publications/2018/Melo_2018_11/Melo_2018_11-image:thumb{{size}}.png" } ], "projects_workgroups": [ "vis" ], "url": "https://www.cg.tuwien.ac.at/research/publications/2018/Melo_2018_11/", "__class": "Publication" } ]