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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; Reading MDL Molfiles, CML (Chemical Markup Language), ChemDraw binary format, ChemDraw XML text format [2] Writing MDL Molfiles, CML, ChemDraw XML text format
ACD/ChemSketch allows for both basic structure drawing and importation of 3D and 2D .MDL files from other molecular modelling programs. ChemSketch has been favorably compared to other molecular modelling software, especially ChemDraw, based on its ability to display a wide range of structural components and the ease of creating complex structures quickly.
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.
This is a list of CAS numbers by chemical formulas and chemical compounds, indexed by formula.The CAS number is a unique number applied to a specific chemical by the Chemical Abstracts Service (CAS).This list complements alternative listings to be found at list of inorganic compounds and glossary of chemical formulae
A number of tools intended for viewing and editing molecular structures are able to read in files in a number of formats and write them out in other formats. The tools JChemPaint (based on the Chemistry Development Kit ), XDrawChem (based on OpenBabel ), Chime , Jmol , Mol2mol [ 7 ] [ citation needed ] and Discovery Studio fit into this category.
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.
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 ]
According to the Wikipedia, Inkscape is an open-source vector graphics editor, that has incorporated the bitmap-tracing functionality of Potrace.I will try to use this software to make chemical SVGs in conjuction with ChemSketch, ISIS, and ChemDraw, but will not have time to do it until Sunday at the earliest, and if anyone beats me to it, they are welcome to do so.