Drawing
bond-by-bond drawing
bond lenght and angle restrictions to assist with the drawing
ready to use templates of common rings
ability to expand common groups from abbreviated to structural form
Support for linear formulas (such as -CH2CH(COOCH3)2)
radicals, charges...
arrows (several types - normal, retro, equilibrium, etc.)
rich text
color support
simple vector graphics (rectangles, circles, polygons etc.)
Editing
unlimited undo and redo capabilities
aligning
scaling
rotation (2D, 3D)
aligning of molecules so that particular bond is horizontal/vertical
rotation of molecular fragments around bonds (conformation changes)
definition of personal preferred drawing style (bond lenghts, widths, colors...)
Export
full export to SVG (native data are transparently embedded into SVG file)
full export to OpenOffice Draw format
full export to ODF (OpenOffice 2.0) format
full export to Encapsulated PostScript
full export to PDF
full export to PNG (if pycairo is installed, available in Windows binary build)
basic support for both CML1 and CML2
Molfiles
generation of SMILES
Import
basic support for both CML1 and CML2
Molfiles
SMILES (subset)
INChI (subset)
Other features
localization support (currently English, French, Czech, Polish, German and Traditional Chinese translations are available)
native format is XML based
validity checking of drawn structures
support for user written plugins
support for user written batch scripts
searching for BKChem files containing specified molecules or molecule fragment
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Chemical Calculator or GChemCalc is another Ubuntu chemistry software app that’s a simple chemical calculator for determining molecular weights of a formula and their respective percentages, all really fast and easy. There’s not much to be said about it, except I use it all the time – simple is almost always better.
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You can visualize the Periodic Table of the Elements by groups, blocks, and families. You can plot data for a range of elements for properties like the boiling point or the atomic mass and can go back in time and see what elements were known at a given data.
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