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A MODEL FOR THE GRAPHICAL DISPLAY OF PSEUDOROTATION IN SMALL RINGS

JOURNAL OF MOLECULAR graphics 1988年第3期6卷 166-&页

作者： TONGE, AP CHAN, DA MURRAYRUST, P Computer Graphics Unit Glaxo Group Research Greenford Middlesex UB6 OHE UK

An improved mathematical description of pseudorotation in five- and six-memhered rings is presented. This procedure allows the position of the ring atoms to be computed at all points on the pseudorotational pathway without significant geometrical distortion, bond lengths remaining constant to within ± 2A Å and endocyclic valence angles to within ± 2 Å. The routine has been incorporated into an interactive molecular modeling system, allowing real-time display of the pseudorotation process in molecules of biological interest and calculation of associated conformational energies and NMR coupling constants.

关键词： pseudorotation furanose conformation proline conformation twist-boat cyclohexane molecular modeling

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A THEORETICAL REINVESTIGATION OF THE NUCLEIC BASES ADENINE, GUANINE, CYTOSINE, THYMINE AND URACIL USING AM1

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JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 1987年第C期36卷 259-269页

作者： NORINDER, U Computer Graphics Unit Research and Development Laboratories Astra Alab AB S-151 85 Södertälje Sweden

The geometries and relative energies for different tautomers of the nucleic bases adenine, guanine, cytosine, thymine and uracil were calculated with full geometry optimization using the AM1 method. For each nucleic b...

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CONFORMATIONAL-ANALYSIS OF 3-METHYLENE-1,4-PENTADIENE USING MOLECULAR MECHANICS AND QUANTUM-MECHANICAL CALCULATIONS

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JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM 1987年第1-2期35卷 85-91页

作者： NORINDER, U Computer Graphics Unit Research and Development Laboratories Astra Alab AB S-151 85 Södertälje Sweden

Three low energy conformations of 3-methylene-1,4-pentadiene (MPD) have been calculated using molecular mechanics (MM2PI), NDDO (AM1) and ab initio (STO-3G, 3-21G, 4-31G and 6-31G) molecular orbital calculations with ...

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Untangling Circular Drawings: Algorithms and Complexity 32

Untangling Circular Drawings: Algorithms and Complexity

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32nd International Symposium on Algorithms and Computation, ISAAC 2021

作者： Bhore, Sujoy Li, Guangping Nöllenburg, Martin Rutter, Ignaz Wu, Hsiang-Yun Indian Institute of Science Education and Research Bhopal India Algorithms and Complexity Group TU Wien Austria Universität Passau Germany Research Unit of Computer Graphics TU Wien Austria

ISBN: (纸本)9783959772143

We consider the problem of untangling a given (non-planar) straight-line circular drawing δG of an outerplanar graph G = (V, E) into a planar straight-line circular drawing by shifting a minimum number of vertices to a new position on the circle. For an outerplanar graph G, it is clear that such a crossing-free circular drawing always exists and we define the circular shifting number shift◦(δG) as the minimum number of vertices that need to be shifted to resolve all crossings of δG. We show that the problem Circular Untangling, asking whether shift◦(δG) ≤ K for a given integer K, is NP-complete. Based on this result we study Circular Untangling for almost-planar circular drawings, in which a single edge is involved in all the crossings. In this case we provide a tight upper bound shift◦(δG) ≤ ⌊n2 ⌋ - 1, where n is the number of vertices in G, and present a polynomial-time algorithm to compute the circular shifting number of almost-planar drawings. © Sujoy Bhore, Guangping Li, Martin Nöllenburg, Ignaz Rutter, and Hsiang-Yun Wu.

关键词： Computational complexity

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A Web adaptive educational system for people with hearing difficulties

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Education and Information Technologies 2000年第3期5卷 189-200页

作者： Markellou, Penelope Rigou, Maria Sirmakessis, Spiros Tsakalidis, Athanasios Computer Engineering and Informatics Department Multimedia Graphics and GIS Lab. University of Patras Patras 26500 Greece Internet and Multimedia Technologies Research Unit Computer Technology Institute Patras 26221 61 Riga Feraiou Str. Greece

In this paper we present a web adaptive educational tool for the Greek Sign Language. The design and the implementation of the tool were partially funded by national bodies. The paper presents the architecture of the tool, in an abstract way and briefly describes its functionality. The interaction process followed is also presented. © 2000 Kluwer Academic Publishers.

关键词： Architecture Hearing difficulties Interactive learning Sign language

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Resource management for multimodal and multilingual adaptation of user interfaces in ambient assisted living environments

Resource management for multimodal and multilingual adaptati...

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7th International Conference on Universal Access in Human-computer Interaction: Design Methods, Tools, and Interaction Techniques for eInclusion, UAHCI 2013, Held as Part of 15th International Conference on Human-computer Interaction, HCI 2013

作者： Stocklöw, Carsten Grguric, Andrej Dutz, Tim Vandommele, Tjark Kuijper, Arjan Fraunhofer Institute for Computer Graphics Research Fraunhoferstr. 5 64283 Darmstadt Germany Research and Innovations Unit Ericsson Nikola Tesla D.d. Krapinska 45 10002 Zagreb Croatia

ISBN: (纸本)9783642391934

Providing multimodal user interfaces in Ambient Assisted Living scenarios is a challenging task due to large variety of modalities and languages that can be used as well as impairments and preferences of end users. Creating an application that can cope with this multitude of presentation possibilities is highly complex. However, by separating the application from the presentation layer and representing the dialog in an abstract form, it is possible to perform adaptations according to the output parameters. In this work, we present the concept for a Resource Server for multimodal and distributed systems which is capable of storing different kinds of resources and associated metadata, and adapting abstract dialogs. We propose the introduction of a presentation identifier as placeholder for a set of concrete resources, a two-stage mapping between identifiers, and a selection algorithm to cope with the problem of multiple matching resources. © 2013 Springer-Verlag Berlin Heidelberg.

关键词： Presentation Layer

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2-D Spatial indexing scheme in optimal time

2-D Spatial indexing scheme in optimal time

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East-European Conference on Advances in Databases and Information Systems Held Jointly with International Conference on Database Systems for Advanced Applications, ADBIS-DASFAA 2000

作者： Kitsios, Nectarios Makris, Christos Sioutas, Spyros Tsakalidis, Athanassios Tsaknakis, Jhon Vassiliadis, Bill Department of Computer Engineering and Informatics: Graphics Multimedia and GIS Laboratory University of Patras Patras26500 Greece Computer Technology Institute: Research Unit 5 P.O. Box 1122 Patras26110 Greece

ISBN: (纸本)3540679774

We consider the 2-dimensional space with integer coordinates in the range [1, N] × [1, N]. We present the MPST (Modified Priority Search Tree) index structure which reports the k points that lie inside the quadrant query range (, b] × (, c] in optimal O(k) time. Our Index Scheme is simple, fast and it can be used in various geometric or spatial applications such as: (1) 2 D dominance reporting on a grid (2) 2D maximal elements on a grid. Then, based on structures of Gabow et al. [6] and Beam and Fich [31] we describe an index scheme, which handles in an efficient way window queries in spatial database applications. In the general case in which the plane has real coordinates the above time results are slowed down by adding a logarithmic factor due to the normalization technique. © Springer-Verlag Berlin Heidelberg 2000.

关键词： Query languages

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Integrating AEC Domain-Specific Multidisciplinary Knowledge for Informed and Interactive Feedback in Early Design Stages 1

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19th International Conference on Computing in Civil and Building Engineering, ICCCBE 2022

作者： Reisinger, Julia Rasoulzadeh, Shervin Kovacs, Balint Istvan Ferschin, Peter Vasylevska, Khrystyna Hensel, Michael Kovacic, Iva Wimmer, Michael Department for Integrated Planning and Industrial Building TU Wien Vienna Austria Department for Digital Architecture and Planning TU Wien Vienna Austria Research Unit of Computer Graphics TU Wien Vienna Austria Institute of Visual Computing & Human-Centered Technology TU Wien Vienna Austria

ISBN: (数字)9783031325151

ISBN: (纸本)9783031325144

In the context of digitalization in the industry, a variety of technologies has been developed for system integration and enhanced team collaboration in the Architecture, Engineering and Construction (AEC) industry. Multidisciplinary design requirements are characterized by a high degree of complexity. Early design methods often rely on implicit or experiential design knowledge, whereas contemporary digital design tools mostly reflect domain-specific silo thinking with time-consuming iterative design processes. Yet, the early design stages hold the greatest potential for design optimization. This paper presents a framework of a multidisciplinary computational integration platform for early design stages that enables integration of AEC domain-specific methods from architecture, engineering, mathematics and computer science. The platform couples a semantic integrative mixed reality sketching application to a shape inference machine-learning based algorithm to link methods for different computation, simulation and digital fabrication tasks. A proof of concept of the proposed framework is presented for the use case of a freeform geometry wall. Future research will explore the potential of the framework to be extended to larger building projects with the aim to connect the method into BIM-processes. © 2023, The Author(s), under exclusive license to Springer Nature Switzerland AG.

关键词： Iterative methods

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MoBIC: An Aid to Increase the Independent Mobility of Blind Travellers

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British Journal of Visual Impairment 1997年第2期15卷 63-66页

作者： Petrie, Helen Johnson, Valerie Strothotte, Thomas Raab, Andreas Michel, Rainer Reichert, Lars Schalt, Axel Sensory Disabilities Research Unit University of Hertfordshire Hatfield AL10 9AB United Kingdom Department of Simulation and Graphics Otto-von-Guericke University of Magdeburg D-39106 Magdeburg Universitatsplatz 2 Germany Department of Computer Science Free University of Berlin Takustrasse 9 D-14195 Berlin Germany

This article outlines the research of a multi-national team to develop a new travel aid to increase the independent mobility of blind and partially sighted people. The MoBIC travel aid (MoTA) consists of two inter-related components: the MoBIC Pre-Journey System (MoPS) assists users in exploring maps and planning journeys;and the MoBIC Outdoor System (MoODS) allows them to execute these plans by providing orientation and navigation assistance during journeys. The MoODS is a secondary aid, complementing primary aids such as the long cane or guide dog. The process by which initial prototypes of the system were developed is outlined and the elicitation of user requirements is discussed. Some results of initial evaluations conducted in the united Kingdom and the first field trials conducted in Germany are also presented. © 1997, Sage Publications. All rights reserved.

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Knowledge discovery in patent databases

Knowledge discovery in patent databases

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Proceedings of the Eleventh International Conference on Information and Knowledge Management (CIKM 2002)

作者： Markellos, Konstantinos Markellou, Penelope Mayritsakis, George Perdikuri, Katerina Sirmakessis, Spiros Tsakalidis, Athanasios Multimedia Graphics and GIS Lab. Computer Eng. and Info. Dept. University of Patras 26500 Patras Greece Research Acad. Comp. Technol. Inst. Internet Multimedia Technol Res Unit 61 Riga Feraiou Str. 26221 Patras Greece

In our days the business, scientific and personal databases are growing in an exponential rate. However, what is truly valuable is the knowledge that can be extracted from the stored data. Knowledge Discovery in patent databases was traditionally based on manual analysis carried out from statistical experts. Nowadays the increasing interest of many actors have led to the development of new tools for discovering and exploiting information related to technological activities and innovation, "hidden" in patent databases. In this paper we present a system that combines efficient and innovative methodologies and tools for the analysis of patent data stored in international databases and the production of scientific and technological indicators.

关键词： Knowledge acquisition

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