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The JME Molecule Editor is a molecule editor Java applet with which users make and edit drawings of molecules and reactions (including generating substructure queries), and can display molecules within an HTML page. [1] The editor can generate Daylight simplified molecular-input line-entry system (SMILES) or MDL Molfiles of the created structures.
Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts. OpenBabel import of files, input generation for multiple computational chemistry packages, X-ray crystallography, and biomolecules.
Now Chime is owned by Dassault Systemes BIOVIA (formerly Accelrys), and has been merged into Discovery Studio, but no longer exists as a free browser plugin. Chime largely has been superseded by Jmol , [ 5 ] a non-proprietary open-source Java molecular visualization application and JavaScript applet that has maintained most Chime command ...
High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes Yes No No No No Helix, loop, and side chain optimizing, fast energy minimizing Proprietary: PLOP wiki ...
A notable molecule editor is a computer program for creating and modifying representations of chemical structures. Molecule editors can manipulate chemical structure representations in either a simulated two-dimensional space or three-dimensional space , via 2D computer graphics or 3D computer graphics , respectively.
Moodle (/ ˈ m uː d əl / MOO-dəl) is a free and open-source learning management system written in PHP and distributed under the GNU General Public License. [3] [4] Moodle is used for blended learning, distance education, flipped classroom and other online learning projects in schools, universities, workplaces and other sectors. [5] [6] [7]
Users can export courses as SCORM or Experience API for use with learning management systems like Moodle. Apart from the interactive output format, users can export projects to non-interactive ones. It can be images, documents ( PDF , Microsoft Word , Microsoft Excel ), Microsoft PowerPoint presentations, and videos ( AVI , MP4 , WMV , WebM ).
SMILES generation algorithm for ciprofloxacin: break cycles, then write as branches off a main backbone. The Simplified Molecular Input Line Entry System (SMILES) is a specification in the form of a line notation for describing the structure of chemical species using short ASCII strings.