scholarly journals Collaborative Computational Project for Electron cryo-Microscopy

2015 ◽  
Vol 71 (1) ◽  
pp. 123-126 ◽  
Author(s):  
Chris Wood ◽  
Tom Burnley ◽  
Ardan Patwardhan ◽  
Sjors Scheres ◽  
Maya Topf ◽  
...  

The Collaborative Computational Project for Electron cryo-Microscopy (CCP-EM) has recently been established. The aims of the project are threefold: to build a coherent cryoEM community which will provide support for individual scientists and will act as a focal point for liaising with other communities, to support practising scientists in their use of cryoEM software and finally to support software developers in producing and disseminating robust and user-friendly programs. The project is closely modelled on CCP4 for macromolecular crystallography, and areas of common interest such as model fitting, underlying software libraries and tools for building program packages are being exploited. Nevertheless, cryoEM includes a number of techniques covering a large range of resolutions and a distinct project is required. In this article, progress so far is reported and future plans are discussed.

Molecules ◽  
2021 ◽  
Vol 26 (10) ◽  
pp. 2922
Author(s):  
Joanna Stoycheva ◽  
Julia Romanova ◽  
Alia Tadjer

Singlet fission, a multiple exciton generation process, can revolutionize existing solar cell technologies. Offering the possibility to double photocurrent, the process has become a focal point for physicists, chemists, software developers, and engineers. The following review is dedicated to the female investigators, predominantly theorists, who have contributed to the field of singlet fission. We highlight their most significant advances in the subject, from deciphering the mechanism of the process to designing coveted singlet fission materials.


2017 ◽  
Author(s):  
Luis de la Garza ◽  
Fabian Aicheler ◽  
Oliver Kohlbacher

Computational analyses for research usually consist of a complicated orchestration of data flows, software libraries, visualization, selection of adequate parameters, etc. Structuring these complex activities into a collaboration of simple, reproducible and well defined tasks brings down complexity and increases reproducibility. This is the basic notion of workflows. Workflow engines allow users to create and execute workflows, each having unique features. In some cases, certain features offered by platforms are royalty-based, hindering use in the scientific community. We present our efforts to convert whole workflows created in the Konstanz Information Miner Analytics Platform to the Web Services Parallel Grid Runtime and Developer Environment. We see the former as a great workflow editor due to its considerable user base and user-friendly graphical interface. We deem the latter as a great backend engine able to interact with most major distributed computing interfaces. We introduce work that provides a platform-independent tool representation, thus assisting in the conversion of whole workflows. We also present the challenges inherent to workflow conversion across systems, as well as the ones posed by the conversion between the chosen workflow engines, along with our proposed solution to overcome these challenges. The combined features of these two platforms (i.e., intuitive workflow design on a desktop computer and execution of workflows on distributed high performance computing interfaces) greatly benefit researchers and minimize time spent in technical chores not directly related to their area of research.


Author(s):  
L. J. Lao ◽  
B. J. Harder

Abstract. This paper presents an overview of the Gateway web platform, a proprietary geospatial analytics system developed by Cobena Business Analytics and Strategy, Inc.1 The application is intended to serve as a user-friendly and easily-accessible tool for spatial data analysis and visualization geared toward non-technical specialists. Gateway’s core functionalities hinge on mapping and data visualization (choropleths and points) alongside traditional scoring methods and built-in machine learning algorithms for area prioritization and site selection. Gateway provides an interactive, cloud-based environment that abstracts and simplifies common location-based analyses. A core strength of the platform is also its heavy localization to the Philippine context through a curated database of market information — with future plans to create local counterparts across SEA — which reduces the need for extensive external market data collection and reconciliation. The paper gives a brief review of the system design and key features of the platform. It also highlights some key applications across industries such as real estate, consumer goods, and retail in informing expansion and distribution strategies, prioritizing resource allocation, and analyzing historical performance against market factors.


2021 ◽  
Vol 5 (OOPSLA) ◽  
pp. 1-31
Author(s):  
Alexandru Dura ◽  
Christoph Reichenbach ◽  
Emma Söderberg

Static checker frameworks support software developers by automatically discovering bugs that fit general-purpose bug patterns. These frameworks ship with hundreds of detectors for such patterns and allow developers to add custom detectors for their own projects. However, existing frameworks generally encode detectors in imperative specifications, with extensive details of not only what to detect but also how . These details complicate detector maintenance and evolution, and also interfere with the framework’s ability to change how detection is done, for instance, to make the detectors incremental. In this paper, we present JavaDL, a Datalog-based declarative specification language for bug pattern detection in Java code. JavaDL seamlessly supports both exhaustive and incremental evaluation from the same detector specification. This specification allows developers to describe local detector components via syntactic pattern matching , and nonlocal (e.g., interprocedural) reasoning via Datalog-style logical rules . We compare our approach against the well-established SpotBugs and Error Prone tools by re-implementing several of their detectors in JavaDL. We find that our implementations are substantially smaller and similarly effective at detecting bugs on the Defects4J benchmark suite, and run with competitive runtime performance. In our experiments, neither incremental nor exhaustive analysis can consistently outperform the other, which highlights the value of our ability to transparently switch execution modes. We argue that our approach showcases the potential of clear-box static checker frameworks that constrain the bug detector specification language to enable the framework to adapt and enhance the detectors.


Author(s):  
Li Xiao ◽  
Subhasish Dasgupta

A Web portal is a site that aggregates information from multiple sources on the World Wide Web and organizes this material in an easy user-friendly manner. Portals usually consist of a search engine, e-mail, news, and interactive chat facilities. The two main types of portals are horizontal and vertical portals. A horizontal portal is a Web site that provides consumers access to a number of different sites in terms of content and functionality. A vertical portal focuses on a specific community of users who share a common interest. In this chapter we investigate the impact of user characteristics such as gender, age, experience, and Web use on user satisfaction with Web portals. In our study we are unable to detect any differences in satisfaction based on gender. We find that the users with seven to 10 years of work experience are most satisfied with Web portals, while users with more than 10 years work experience report least satisfaction with Web portals. We also find that users that use Web portals the least (30 to 60 minutes per week) are least satisfied with them. Users of vertical (or customer community) portals are always more satisfied than users of horizontal (or mega) portals.


2019 ◽  
Vol 25 (1) ◽  
pp. 9-24 ◽  
Author(s):  
S. Zohreh Homayounfar ◽  
Trisha L. Andrew

The emergence of flexible wearable electronics as a new platform for accurate, unobtrusive, user-friendly, and longitudinal sensing has opened new horizons for personalized assistive tools for monitoring human locomotion and physiological signals. Herein, we survey recent advances in methodologies and materials involved in unobtrusively sensing a medium to large range of applied pressures and motions, such as those encountered in large-scale body and limb movements or posture detection. We discuss three commonly used methodologies in human gait studies: inertial, optical, and angular sensors. Next, we survey the various kinds of electromechanical devices (piezoresistive, piezoelectric, capacitive, triboelectric, and transistive) that are incorporated into these sensor systems; define the key metrics used to quantitate, compare, and optimize the efficiency of these technologies; and highlight state-of-the-art examples. In the end, we provide the readers with guidelines and perspectives to address the current challenges of the field.


2010 ◽  
Vol 132 (05) ◽  
pp. 40-45 ◽  
Author(s):  
Jack Thornton

This article presents an overview of capabilities and applications of finite element analysis (FEA) in engineering analysis. FEA is useful wherever the risk of material failure or engineering error has serious consequences—any of the legal, regulatory, and bottom-line ramifications of product failure. They also point out that credibility lies at the heart of every simulation effort, FEA or otherwise. FEA software developers have made it easier to use their software via user-friendly graphical user interfaces. FEA is a uniquely powerful tool for prototyping, as well as reducing the traditional build-test-break cycle from months or even years of trial and error to weeks of digital calculations and validations. Digital prototyping also allows designers to quickly dig into more design options. Most complicated engineering analyses use nonlinear FEA for challenging problems. Nonlinear FEA includes elastic and plastic transformations; tension and compression; buckling; fixed and sliding contacts, fatigue, creep, large deflections and deformations; large strain; hyperelasticity, viscoelasticity, viscoplasticity, and many others. In the real world, each of the linear and nonlinear uses is problematical. Getting them right depends heavily on the analysts, so their skills should be also validated and verified.


Improving software development efficiency based on existing APIs is one of the hot researches in software engineering. Understanding and learning so many APIs in large software libraries is not easy and software developers prefer to provide only requirements descriptions to get the right API. In order to solve this problem, this paper proposes an API recommendation method based on WII-WMD, an improved similarity calculation algorithm. This method firstly structures the text, and then fully mines the semantic information in the text. Finally, it calculates the similarity between the user's query problem and the information described in the API document. The experiment results show that the API recommendation based on WII-WMD can improve the efficiency of the API recommendation system.


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