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For example, ChemDraw supports this, as does ChemSketch and BIOVIA Draw (.emf is preferable for the latter). Draw the structure in your molecule editor, and save it as a Windows Metafile (.wmf), Enhanced Metafile (.emf), or Encapsulated Postscript (.eps). Open the saved file in Inkscape.
ChemDraw is a molecule editor first developed in 1985 by Selena "Sally" Evans, her husband David A. Evans, and Stewart Rubenstein [1] [2] (later by the cheminformatics company CambridgeSoft). The company was sold to PerkinElmer in 2011. [ 3 ]
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; Symbols such as partial charge and radicals
ChemDraw eXchange file .cer: chemical/x-cerius MSI Cerius II format .c3d: chemical/x-chem3d Chem3D Format .chm: chemical/x-chemdraw ChemDraw file .cif: chemical/x-cif Crystallographic Information File, Crystallographic Information Framework Promulgated by the International Union of Crystallography .cmdf: chemical/x-cmdf CrystalMaker Data format ...
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.
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.
Depictions of molecular compounds is well accomplished using ChemDraw and related software. Cations and anions are also typically discrete and can be depicted unambiguously. For simple structures, say <10 atoms, it is helpful to depict all atoms explicitly.
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]