scholarly journals Molywood: streamlining the design and rendering of molecular movies

2020 ◽  
Vol 36 (17) ◽  
pp. 4660-4661
Author(s):  
Miłosz Wieczór ◽  
Adam Hospital ◽  
Genis Bayarri ◽  
Jacek Czub ◽  
Modesto Orozco

Abstract Motivation High-quality dynamic visuals are needed at all levels of science communication, from the conference hall to the classroom. As scientific journals embrace new article formats, many key concepts—particularly, in structural biology—are also more easily conveyed as videos than still frames. Notwithstanding, the design and rendering of a complex molecular movie remain an arduous task. Here, we introduce Molywood, a robust and intuitive tool that builds on the capabilities of Visual Molecular Dynamics (VMD) to automate all stages of movie rendering. Results Molywood is a Python-based script that uses an integrated workflow to give maximal flexibility in movie design. It implements the basic concepts of actions, layers, grids and concurrency and requires no programming experience to run. Availability and implementation The script is freely available on GitLab (gitlab.com/KomBioMol/molywood) and PyPI (through pip), and features an extended documentation, tutorial and gallery hosted on mmb.irbbarcelona.org/molywood.

This book provides an objective look into the dynamic world of debt markets, products, valuation, and analysis. It also provides an in-depth understanding about this subject from experts in the field, both practitioners and academics. The coverage extends from discussing basic concepts and their application to increasingly intricate and real-world situations. This volume spans the gamut from theoretical to practical, while attempting to offer a useful balance of detailed and user-friendly coverage. The book has several distinguishing features. It blends the contributions of a global array of scholars and practitioners into a single review of some of the most important topics in this area. The book follows an internally consistent approach in format and style. Hence, it is collectively much more than a compilation of chapters from an array of different authors. It presents theory without unnecessary abstraction, quantitative techniques using basic bond mathematics, and conventions at a useful level of detail. It also incorporates how investment professionals analyze and manage fixed income portfolios. The book emphasizes empirical evidence involving debt securities and markets so it is understandable to a wide array of readers. Each chapter contains discussion questions to help reinforce key concepts. The end of the book contains guideline answers to each question. Readers interested in a broad survey will benefit as will those looking for more in-depth presentations of specific areas within this field of study. In summary, the book provides a fresh look at this intriguing and dynamic but often complex subject.


2020 ◽  
pp. 18-23
Author(s):  
A. S. Moshnenko ◽  
E. S. Krivoshey ◽  
I. N. Smirnova

The modern requirements for explosion and fire safety of industrial enterprises are considered. Equipping the production with high-quality explosion-proof electrical equipment ensures the safety of resources and people's lives. Basic concepts are given, principles and classifications are described, international and Russian standards are indicated, which should be followed by manufacturers of such devices.


2021 ◽  
Vol 7 (3) ◽  
pp. 24-33
Author(s):  
V. L. Malakhova

Th article describes the specifis, principles and methods of synergetics as a promising area of modern research. Synergetics is presented by the author as a holistic integral paradigm used in many sciences which confims its interdisciplinary and even universal nature. Th object of this paradigm is the interaction of complex systems, and since the mere concept ‘system’ is widely used in many scientifi filds, the relevance of synergetics is beyond doubt. Th author describes the main characteristics of the structure and functioning of a system. Th key concepts of synergetics and their explanation are also given. Further, the article discusses the branches of linguistics which use principles of synergetics – linguosynergetics and functional linguosynergetics as its variety. Since the study of text and discourse and their parameters as complex systems is of particular interest to many linguists, linguosynergetics has become one of the demanded scientifi paradigms in this area of research. Th author points out the objectives and tasks of linguistic synergetics, and functional linguosynergetics in particular, their basic concepts, principles and methods. Attention is also paid to the functioning of linguistic means, as well as the formation and interpretation of meaning depending on certain discursive space. Th author comes to the conclusion that thanks to synergetics language can be studied from specifi angles, and the application of its principles greatly contributes to the theory of the evolution of language. Linguosynergetics provides ample opportunities for describing language/text/discourse as a complex dynamic open system, and functional linguosynergetics, in turn, helps describe the features of its functioning and evolution.


Author(s):  
David L. Streiner ◽  
Geoffrey R. Norman ◽  
John Cairney

This chapter begins by introducing the readers to finding existing scales that may meet their needs. It briefly summarizes the key concepts they should look for in a scale—reliability, validity, and feasibility. It discusses what is meant by these various terms and how they are measured. The chapter also contrasts the categorical versus the dimensional approaches to diagnosis and classification. Finally, it compares the medical versus the psychometric ways of trying to reduce measurement error.


Author(s):  
C. Glenn Begley

Unfortunately, preclinical research studies frequently suffer from a lack of rigor and robustness that precludes their use as a foundation for a drug-development program. Too often they lack the characteristics that typically are expected in high-quality clinical studies, yet despite that, they are published in top-tier scientific journals. The key attributes that are missing include lack of blinding of investigators, failure to repeat experiments, lack of positive and negative controls, use of nonvalidated reagents, inappropriate use of statistical tests, and data selection (ignoring results that do not fit the hypothesis). Physicians and scientists should view preclinical findings that lack these characteristics with skepticism and should proceed very cautiously in applying such findings to the clinic.


2017 ◽  
Vol 2 (1) ◽  
pp. 9-33 ◽  
Author(s):  
Matthew Carter Childers ◽  
Valerie Daggett

A grand challenge in the field of structural biology is to design and engineer proteins that exhibit targeted functions.


2021 ◽  
pp. 196-204
Author(s):  
Larysa Fedorenko

The article is devoted to the drama of Bertolt Brecht (1898–1956), the peculiarities of its genre palette and analysis of the main factors of the playwright's artistic method. To achieve this goal, the following research methods were used: descriptive; matching method; literary analysis and synthesis. The Brecht Theater is represented by genre varieties of theatrical forms: expressionist drama, musical, opera, operetta, Lehrstück, epic and dialectic theater. The article proves that dialectics is the ideological soil and the conceptual core of the Brecht Theater. The dialectic poetics of a playwright should be understood as the method of analysis and argumentation presented by the Hegelian triad: thesis – antithesis – synthesis. In accordance with the dialectical concept, the Brecht theater puts in the center primarily the principle of contradiction, aimed at a multifaceted understanding of phenomena, overcoming a frozen, ossified way of thinking. The study defines the key concepts and principles of creating the drama of Bertolt Brecht, namely the «alienation effect» (Verfremdungseffekt) and assemblage (composition). The principle of the «alienation effect» is that a familiar phenomenon appears in the theater from an unexpected perspective, and therefore requires awareness of the viewer’s novelty. The means of this is the constant violation of theatrical illusion, the reality of what is happening on stage. The assemblage stipulates that the theatrical action is not a homogeneous system, but is a «made», «constructed» plane of various heterogeneous «materials»: dialogical discourse is interrupted by lyro-epic components (songs); in the musical plan, which is designed in the same style, jazz elements are suddenly «mounted», actors exchange roles during the performance, elements of the cinema «penetrate» the event plane, the causal course of the events depicted is interrupted by the demonstration of banners or posters with provocative appeals. The prospects for further research are the literary analysis of post-Brecht theater, that is, drama, which appeared as an imitation or negation of the dramatic principles of Brecht's theater.


2020 ◽  
Vol 82 (8) ◽  
pp. 535-541
Author(s):  
Douglas Allchin

Science denial, misinformation, and science con-artists are on the rise. We are plagued by anti-vaxxers, climate change naysayers, and promoters of ineffective fad diets and medical cures. The scientifically literate citizen or consumer needs skills in differentiating good science and trustworthy sources from impostors. Here, I present a series of student-centered activities that help students inquire into the nature of credibility and the problems of expertise, mediated knowledge, and science communication. I open with a playful guessing game about “fantastic beasts” reported in the 16th century, then follow with more modern examples. I then describe a science version of “To Tell the Truth,” a reflective exercise on “Finding the Expert,” and then a student opportunity to explore deceptive strategies by trying to bluff their classmates with false news stories about science. These all develop basic concepts in science media literacy and prepare students for more serious investigation into a contemporary scientific controversy.


2018 ◽  
Author(s):  
Vinícius Medina Kern

ResumoA Wikipédia é citada em revistas científicas de alto impacto, apesar de sua má reputação como fonte de informação. O que sustenta essa aceitação? Em busca de respostas, este artigo apresenta uma avaliação da Wikipédia anglófona segundo o roteiro de Silberger para obras de referência quanto ao propósito, alcance, arranjo, informação dada, acesso e características especiais, com um aspecto adicional: o controle da qualidade do conteúdo. Complementa essa avaliação um relato da experiência do autor na criação de um verbete em português. Em conclusão, a Wikipédia tem conteúdo de alta qualidade, com vantagens como o grande volume de conteúdo em muitas línguas, bem como desvantagens, como a ênfase em tópicos “populares”. Há também conteúdo inadequado, cuja contenção e reparo dependem da capacidade e engajamento da comunidade linguística que a edita, bem como do respeito a seus princípios editoriais. Há oportunidade para engajar estudantes do ensino superior na criação de conteúdos, bem como na avaliação, que é uma forma de “revisão por pares”. O bom uso da Wikipédia depende essencialmente da capacidade crítica do leitor.AbstractWikipedia is cited in high-profile scientific journals, despite its poor reputation as information source. What warrants this acceptance by scientists? In search for answers, this article presents an assessment of the English Wikipedia according to Silberger's guide for reference works, analyzing its purpose, scope, arrangement, information given, access, and special characteristics, with an additional aspect: quality control of new content. An account of the author's experience in creating an entry in the Portuguese Wikipedia complements the assessment. In conclusion, Wikipedia has high quality content, with advantages such as the large volume of content in many languages, as well as disadvantages such as the emphasis on “popular” topics. There is also inadequate content, whose containment and repair depend on the literacy and engagement of the linguistic community that publishes it, as well as on following Wikipedia's editorial principles. Content creation is an opportunity to engage higher education students, as well as content evaluation, which is a form of peer review. Fruitful use of Wikipedia content depends essentially on the reader's critical judgment.Keywords: Wikipedia; Encyclopedias; Reference materials; Digital curation; Peer review.


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