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A chemical graph generator is a software package to generate computer representations of chemical structures adhering to certain boundary conditions. The development of such software packages is a research topic of cheminformatics .
Detection of structures, text, and arrows, and their automatic placement; Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in a built-in library; Retrieval of structures from a network database based on CAS number, formula, or name; Retrieval of information on a molecule based on a drawing
A 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.
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. SMILES strings can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the molecules.
PerkinElmer Launches New Chemical Structure Drawing & Visualization Apps for iPad ® ChemDraw ® and Chem3D for iPad ® empower scientists and students to collaborate outside of the laboratory and ...
ChemWindow is a chemical structure drawing molecule editor and publishing program now published by John Wiley & Sons as of 2020, [1] originally developed by Bio-Rad Laboratories, Inc. [2] [3] It was first developed by SoftShell International in the 1990s. [4]
Build and visualize molecule and periodic systems (crystal, structures, fluids...), animate trajectories, visualize molecular orbitals, density, electrostatic potential... visualize graph such IR, NMR, dielectric and optical tensors. Molden: MM XRD: Proprietary, free use academic [12] Molecular Operating Environment (MOE) HM MD MM NA QM SMI XRD ...
The editor can generate Daylight simplified molecular-input line-entry system (SMILES) or MDL Molfiles of the created structures. The JME Editor was written by Peter Ertl while at Comenius University in Bratislava, and then at Ciba-Geigy, later merged with Sandoz Laboratories, to form Novartis International AG, in Basel , Switzerland.