The document discusses molecule editors, which are computer programs used to create and modify representations of chemical structures. It provides examples of popular molecule editors like JME and JSME. JME was originally developed in Java but has been ported to JavaScript as JSME, making it usable in web browsers. JSME aims to provide the same functionality as JME through an intuitive interface for drawing and editing molecular structures.
The Project Molecule: A Better Way to Organize Space and Time for Any ProjectRod King, Ph.D.
There are many ways to organize a project. However, the simplest way to organize a project is using six question-tags: When; Where; Who; What; Why; How. Rudyard Kipling, an English writer and poet, referred to these six question-tags as "Six Honest Serving Men." In school, children at Kindergarten are taught how to organize and present their ideas using the six question-tags.
Although the six question-tags have been used for centuries for organizing and presenting ideas, the hierarchical relationship between the question-tags has not been explored. In this presentation, a new organization of the question-tags is offered: When (Time) and Where (Space) are considered to be the fundamental but inextricably linked "superatom" for organizing reality in the past, present, and future. Where or space is considered to be analogous to an ecosystem, which is further broken down into four question-tags: Who; What; Why; How. Consequently, the six question-tags are said to constitute an "Ecosystem Hierarchy" while the four question-tags constitute the system or "molecule."
A core idea of this presentation is that any project can be better organized using a Project or SpaceTime Molecule that can be visually presented as an Ecosystem Hierarchy. Several formats of the Project Molecule are presented including a linear, 3x3 grid, tetrahedral mind map, and 'Periodic Table' format. These Project Molecules can be used for holistically organizing and managing ideas for any project. The Project Molecule is synonymous with the term, "Business Model Molecule."
The word cell is derived from the Latin word “cellula” which means “a little room”
It was the British botanist Robert Hooke who, in 1664, while examining a slice of bottle cork under a microscope, found its structure resembling the box-like living quarters of the monks in a monastery, and coined the word “cells”
Cell The structural and functional unit of life. A lesson for std VIII Biology AP State Cell Diversity Types of cells Microscope structure, cell organelle differences of plant and animal cells prokaryotic and eukaryotic cells cell theory, scientists worked for invention of cell
The Project Molecule: A Better Way to Organize Space and Time for Any ProjectRod King, Ph.D.
There are many ways to organize a project. However, the simplest way to organize a project is using six question-tags: When; Where; Who; What; Why; How. Rudyard Kipling, an English writer and poet, referred to these six question-tags as "Six Honest Serving Men." In school, children at Kindergarten are taught how to organize and present their ideas using the six question-tags.
Although the six question-tags have been used for centuries for organizing and presenting ideas, the hierarchical relationship between the question-tags has not been explored. In this presentation, a new organization of the question-tags is offered: When (Time) and Where (Space) are considered to be the fundamental but inextricably linked "superatom" for organizing reality in the past, present, and future. Where or space is considered to be analogous to an ecosystem, which is further broken down into four question-tags: Who; What; Why; How. Consequently, the six question-tags are said to constitute an "Ecosystem Hierarchy" while the four question-tags constitute the system or "molecule."
A core idea of this presentation is that any project can be better organized using a Project or SpaceTime Molecule that can be visually presented as an Ecosystem Hierarchy. Several formats of the Project Molecule are presented including a linear, 3x3 grid, tetrahedral mind map, and 'Periodic Table' format. These Project Molecules can be used for holistically organizing and managing ideas for any project. The Project Molecule is synonymous with the term, "Business Model Molecule."
The word cell is derived from the Latin word “cellula” which means “a little room”
It was the British botanist Robert Hooke who, in 1664, while examining a slice of bottle cork under a microscope, found its structure resembling the box-like living quarters of the monks in a monastery, and coined the word “cells”
Cell The structural and functional unit of life. A lesson for std VIII Biology AP State Cell Diversity Types of cells Microscope structure, cell organelle differences of plant and animal cells prokaryotic and eukaryotic cells cell theory, scientists worked for invention of cell
Avogadro: Open Source Libraries and Application for Computational ChemistryMarcus Hanwell
In order to tackle upcoming molecular simulation and visualization challenges in key areas of materials science, chemistry and biology it is necessary to move beyond fixed software applications. The Avogadro project is in the final stages of an ambitious rewrite of its core data structures, algorithms and visualization capabilities. The project began as a grass roots effort to address deficiencies observed by many of the early contributors in existing commercial and open source solutions. Avogadro is now a robust, flexible solution that can tie in to and harness the power of VTK for additional analysis and visualization capabilities.
Model-Driven Development of Web Applicationsidescitation
Over the last few years Model-Driven Development (MDD) has been regarded as
the future of Software Engineering, offering architects the possibility of creating artifacts to
illustrate the design of the software solutions, contributing directly to the implementation of
the product after performing a series of model transformations on them. The model-to-text
transformations are the most important operations from the point of view of the automatic
code generation. The automatic generation or the fast prototyping of applications implies an
acceleration of the development process and a reduction of time and effort, which could
materialize in a noticeable cost reduction. This paper proposes a practical approach for the
model-based development of web applications, offering a solution for the layered and
platform independent modeling of web applications, as well as for the automatic generation
of software solutions realized using the ASP.NET technology.
Integrating profiling into mde compilersijseajournal
Scientific computation requires more and more performance in its algorithms. New massively parallel
architectures suit well to these algorithms. They are known for offering high performance and power
efficiency. Unfortunately, as parallel programming for these architectures requires a complex distribution
of tasks and data, developers find difficult to implement their applications effectively. Although approaches
based on source-to-source intends to provide a low learning curve for parallel programming and take
advantage of architecture features to create optimized applications, programming remains difficult for
neophytes. This work aims at improving performance by returning to the high-level models, specific
execution data from a profiling tool enhanced by smart advices computed by an analysis engine. In order to
keep the link between execution and model, the process is based on a traceability mechanism. Once the
model is automatically annotated, it can be re-factored aiming better performances on the re-generated
code. Hence, this work allows keeping coherence between model and code without forgetting to harness the
power of parallel architectures. To illustrate and clarify key points of this approach, we provide an
experimental example in GPUs context. The example uses a transformation chain from UML-MARTE
models to OpenCL code.
USING A JAVA-BASED PROGRAM TO PRODUCE REDUCED AMINO ACID ALPHABET VERSIONS OF...ijbbjournal
Reduced amino acid alphabets are used to show similarity in sequence between two proteins that may not
otherwise be detected. This can occur if slight changes or mutations have occurred over time through
evolution and divergence of species. In this case the structure would remain similar, but the sequence
would appear to be much different. It is important to explore different methods in which to determine the
reduced amino acid alphabet that produces the most accurate results. Here we describe a program we
created to convert individual protein sequences and entire databases to a user-defined reduced amino acid
alphabet. An optimal reduced alphabet would need to conserve the fold of the original protein while also
showing similarities in alignments that were not previously shown. Through the use of this Java-based
program developed and BLAST we have begun to explore and make easier the use of reduced amino acid
alphabets.
Several frameworks for desktop app development are available these days, such as Cocoa and Microsoft Visual Studio. However, there’s only one framework that you can use to create a multi-platform application. This framework is called Electron, and it’s what you’ll learn about here.
Avogadro: Open Source Libraries and Application for Computational ChemistryMarcus Hanwell
In order to tackle upcoming molecular simulation and visualization challenges in key areas of materials science, chemistry and biology it is necessary to move beyond fixed software applications. The Avogadro project is in the final stages of an ambitious rewrite of its core data structures, algorithms and visualization capabilities. The project began as a grass roots effort to address deficiencies observed by many of the early contributors in existing commercial and open source solutions. Avogadro is now a robust, flexible solution that can tie in to and harness the power of VTK for additional analysis and visualization capabilities.
Model-Driven Development of Web Applicationsidescitation
Over the last few years Model-Driven Development (MDD) has been regarded as
the future of Software Engineering, offering architects the possibility of creating artifacts to
illustrate the design of the software solutions, contributing directly to the implementation of
the product after performing a series of model transformations on them. The model-to-text
transformations are the most important operations from the point of view of the automatic
code generation. The automatic generation or the fast prototyping of applications implies an
acceleration of the development process and a reduction of time and effort, which could
materialize in a noticeable cost reduction. This paper proposes a practical approach for the
model-based development of web applications, offering a solution for the layered and
platform independent modeling of web applications, as well as for the automatic generation
of software solutions realized using the ASP.NET technology.
Integrating profiling into mde compilersijseajournal
Scientific computation requires more and more performance in its algorithms. New massively parallel
architectures suit well to these algorithms. They are known for offering high performance and power
efficiency. Unfortunately, as parallel programming for these architectures requires a complex distribution
of tasks and data, developers find difficult to implement their applications effectively. Although approaches
based on source-to-source intends to provide a low learning curve for parallel programming and take
advantage of architecture features to create optimized applications, programming remains difficult for
neophytes. This work aims at improving performance by returning to the high-level models, specific
execution data from a profiling tool enhanced by smart advices computed by an analysis engine. In order to
keep the link between execution and model, the process is based on a traceability mechanism. Once the
model is automatically annotated, it can be re-factored aiming better performances on the re-generated
code. Hence, this work allows keeping coherence between model and code without forgetting to harness the
power of parallel architectures. To illustrate and clarify key points of this approach, we provide an
experimental example in GPUs context. The example uses a transformation chain from UML-MARTE
models to OpenCL code.
USING A JAVA-BASED PROGRAM TO PRODUCE REDUCED AMINO ACID ALPHABET VERSIONS OF...ijbbjournal
Reduced amino acid alphabets are used to show similarity in sequence between two proteins that may not
otherwise be detected. This can occur if slight changes or mutations have occurred over time through
evolution and divergence of species. In this case the structure would remain similar, but the sequence
would appear to be much different. It is important to explore different methods in which to determine the
reduced amino acid alphabet that produces the most accurate results. Here we describe a program we
created to convert individual protein sequences and entire databases to a user-defined reduced amino acid
alphabet. An optimal reduced alphabet would need to conserve the fold of the original protein while also
showing similarities in alignments that were not previously shown. Through the use of this Java-based
program developed and BLAST we have begun to explore and make easier the use of reduced amino acid
alphabets.
Several frameworks for desktop app development are available these days, such as Cocoa and Microsoft Visual Studio. However, there’s only one framework that you can use to create a multi-platform application. This framework is called Electron, and it’s what you’ll learn about here.
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This will be used as part of your Personal Professional Portfolio once graded.
Objective:
Prepare a presentation or a paper using research, basic comparative analysis, data organization and application of economic information. You will make an informed assessment of an economic climate outside of the United States to accomplish an entertainment industry objective.
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1.4 modern child centered education - mahatma gandhi-2.pptx
Molecule editor
1. Submitted to:Sir InamUlHaq
Submitted by:Asma Gulzar
Roll No.05
BS(hons)Chemistry 1st Semester
UNIVERSITY OF EDUCATION
1
UNIVERSITY OF
EDUCATION,OKARA CAMPUS
2. Introduction
Motivation OR Objectives
Importance& Scope
Comparison
Findings
Summary
Conclusion
References
2
UNIVERSITY OF
EDUCATION,OKARA CAMPUS
3. A molecule editor is a computer program for creating and
modifying representations of chemical structures.
Molecule editors can manipulate chemical structure
representations in either two- or three-dimensions. editors
generate output used as illustrations or for querying chemical
databases. Three-dimensional molecule editors are used to build
molecular models, usually as part of molecular
modelling software packages.
Database molecular editors such as Leatherface, and Molecule
Slicer allow large numbers of molecules to be modified
automatically according to rules such as 'deprotonate carboxylic
acids' or 'break exocyclic bonds' that can be specified by the
user.
Molecule editors typically support reading and writing at least
one file format or line notation. Examples of each
include and SMILES, respectively.
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EDUCATION,OKARA CAMPUS 3
4. Students can use the molecule editor to learn
how to create molecules. The molecule editor
allows students to draw molecules that follow
the rules for covalent bond formation and
formal charge, even if the molecules are
chemically impossible, are unstable, or do not
exist in living systems. The molecule editor
warns students if they try to submit a
structure that is chemically impossible.
UNIVERSITY OF
EDUCATION,OKARA CAMPUS 4
5. The JME Molecular Editor is a Java applet with which one
can make and edit drawings, both of molecules and of
reactions (including generation of substructure queries),
and can display molecules within an HTML page. The
editor can generate Daylight SMILES or MDL Molfiles of the
created structures.
The JME Editor was written by Peter Ertl while at Comenius
University and later at Ciba-Geigy, Basel.
It is available free for non-commercial use and has
become a standard for molecular-structure input on the
web.[
JME has been ported to JavaScript using the Google Web
Toolkit (GWT). In analogy to JME the JavaScript editor is
named JSME
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EDUCATION,OKARA CAMPUS 5
6. A molecule editor, i.e. a program facilitating graphical
input and interactive editing of molecules, is an
indispensable part of every cheminformatics or
molecular processing system. Today, when a web
browser has become the universal scientific user
interface, a tool to edit molecules directly within the
web browser is essential. One of the most popular
tools for molecular structure input on the web is the
JME applet. Since its release nearly 15 years ago,
however the web environment has changed and Java
applets are facing increasing implementation hurdles
due to their maintenance and support requirements,
as well as security issues. This prompted us to
update the JME editor and port it to a modern Internet
programming language - JavaScript.
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EDUCATION,OKARA CAMPUS 6
7. A full-featured, multifunction
computer program to analyze and edit digital
... Belgium, France, Germany, Luxembourg,
Netherlands, Switzerland, United Kingdom,
United States, Other Country ... Intuitive,
ready-to-use functions (buttons)
provide molecularweight ... Compare and
evaluate multiple gel images for analysis.
UNIVERSITY OF
EDUCATION,OKARA CAMPUS 7
8. Molecular relationship between field and vaccine
strain of measles virus ... Bio- edit and MEGA-
5 software to find evolutionary relationship
between ... Pakistan has made significant
improvement in EPI coverage in comparison to
India and ... strategy is required to compete
with other countries of the region.
In experimental molecular biology,
bioinformatics techniques such as image and
signal processing ... Comparing
multiple sequences manually turned out to be
impractical. .... The sequences of different genes
or proteins may be aligned side-by-side to
measure their similarity. ..... Open-source
bioinformatics softwar
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EDUCATION,OKARA CAMPUS 8
10. The Drawing mode will allow you to draw a
Carbon on your spectral window just by clicking
on any empty field. Clicking on any existing atom
will add an additional carbon. If you click on a
single bond, you will get a double bond (clicking
on a double bond will draw a triple bond).
Although designed for University level research,
the following software packages are ideal to
supplement high school and advanced middle
school chemistry lessons. The software can also
be used as a tool for student science projects.
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EDUCATION,OKARA CAMPUS 10
11. - Darpa wants the organisms to be fortified
with molecules that bolster cell ... also plans to
throw $20 million into a new synthetic
biology program, and $7.5 ... with which we
sequence, analyze and functionally edit cellular
genomes. ... world (a debate largely about non-
ph View the profiles of professionals named
WILLIAM HARMS on LinkedIn. ... Steel Studios,
Senior Editor at PC Gamer, Executive Editor at
CNET Gamecenter ... Ops IPT Lead, Wideband
Global SATCOM Program at Boeing Satellite
Systems, Lead ... Skills
include molecular biological tools and stable
isotope forensics ysical harms or harms to well-
being)
UNIVERSITY OF
EDUCATION,OKARA CAMPUS 11
12. The actual molecule editing Java code of the JME
editor was translated into JavaScript with help of the
Google Web Toolkit compiler and a custom library
that emulates a subset of the GUI features of the Java
runtime environment. In this process, the editor was
enhanced by additional functionalities including a
substituent menu, copy/paste, drag and drop and
undo/redo capabilities and an integrated help. In
addition to desktop computers, the editor supports
molecule editing on touch devices, including iPhone,
iPad and Android phones and tablets. In analogy to
JME the new editor is named JSME. This new molecule
editor is compact, easy to use and easy to
incorporate into web pages.
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EDUCATION,OKARA CAMPUS 12
13. A free molecule editor written in JavaScript was developed
and is released under the terms of permissive BSD license.
The editor is compatible with JME, has practically the same
user interface as well as the web application programming
interface. The JSME editor is available for download from
the project web page.
We described development and the capabilities of JSME, a
free molecule editor written in JavaScript. JSME was
developed as direct successor of the popular JME applet,
using the JME codebase, therefore although being a new
program, it benefits from 15 years of user feedback and
bug fixing. JSME is released under the permissive BSD
license, which allows the editor to be used freely in both
nonprofit and commercial environments. Implementation
of JSME in web pages is very simple; therefore we hope
that this new molecule editor will become a useful
component of numerous new, exciting cheminformatics
Internet tools and web services.
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EDUCATION,OKARA CAMPUS 13
14. ChemDoodle 2D Sketcher.(31.01.15)
http://web.chemdoodle.com/demos/sketcher webcit
e
ChemWriterhttp://metamolecular.com/chemwriter/ w
ebcite
Elementalhttp://www.dotmatics.com/products/eleme
ntal/ webcite
JSDrawhttp://www.scilligence.com/Web/JSDraw.aspx
webcite
jsMolEditorhttp://chemhack.com/jsmoleditor/ webcit
e
Ketcherhttp://ggasoftware.com/opensource/ketcher
webcite
Marvin for JavaScriptht
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EDUCATION,OKARA CAMPUS 14