005 Computerprogrammierung, Programme, Daten
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Herein we report an update to ACPYPE, a Python3 tool that now properly converts AMBER to GROMACS topologies for force fields that utilize nondefault and nonuniform 1–4 electrostatic and nonbonded scaling factors or negative dihedral force constants. Prior to this work, ACPYPE only converted AMBER topologies that used uniform, default 1–4 scaling factors and positive dihedral force constants. We demonstrate that the updated ACPYPE accurately transfers the GLYCAM06 force field from AMBER to GROMACS topology files, which employs non-uniform 1–4 scaling factors as well as negative dihedral force constants. Validation was performed using β-d-GlcNAc through gas-phase analysis of dihedral energy curves and probability density functions. The updated ACPYPE retains all of its original functionality, but now allows the simulation of complex glycomolecular systems in GROMACS using AMBER-originated force fields. ACPYPE is available for download at https://github.com/alanwilter/acpype.
Designing consumption feedback to support sustainable behavior is an active research topic. In recent years, relevant work has suggested a variety of possible design strategies. Addressing the more recent developments in this field, this paper presents a structured literature review, providing an overview of current information design approaches and highlighting open research questions. We suggest a literature-based taxonomy of used strategies, data source and output media with a special focus on design. In particular, we analyze which visual forms are used in current research to reach the identified strategy goals. Our survey reveals that the trend is towards more complex and contextualized feedback and almost every design within sustainable HCI adopts common visualization forms. Furthermore, adopting more advanced visual forms and techniques from information visualization research is helpful when dealing with ever-increasing data sources at home. Yet so far, this combination has often been neglected in feedback design.
Datenmodellierung
(2019)
Andreas Gadatsch schließt mit dem vorliegenden essential eine Lücke in einführenden Werken zur Datenmodellierung. Diese Modelle gehören zum Basiswissen in Einführungsveranstaltungen zur Wirtschaftsinformatik für Betriebswirte. Die Literatur dazu ist für diese Zielgruppe häufig zu speziell, da sie sich eher an Informatiker richtet. Der Autor bietet hier nun einen kompakten Einstieg in die klassische CHEN-Notation anhand eines durchgängigen Fallbeispiels, auf der viele neue Modellierungsansätze aufbauen. Die zweite Auflage enthält einige formale Korrekturen und Ergänzungen (z. B. Rekursive Relationen).
We present a systematization of usable security principles, guidelines and patterns to facilitate the transfer of existing knowledge to researchers and practitioners. Based on a literature review, we extracted 23 principles, 11 guidelines and 47 patterns for usable security and identified their interconnection. The results indicate that current research tends to focus on only a subset of important principles. The fact that some principles are not yet addressed by any design patterns suggests that further work on refining these patterns is needed. We developed an online repository, which stores the harmonized principles, guidelines and patterns. The tool enables users to search for relevant guidance and explore it in an interactive and programmatic manner. We argue that both the insights presented in this article and the web-based repository will be highly valuable for students to get a good overview, practitioners to implement usable security and researchers to identify areas of future research.