XDrawChem script download - XDrawChem XDrawChem is a two-dimensional molecule drawing program.

XDrawChem is a two-dimensional molecule drawing program. XDrawChem is a two-dimensional molecule drawing program. It is similar in functionality to other molecule drawing programs such as ChemDraw (TM, CambridgeSoft). It can read and write MDL Molfiles, and read ChemDraw text and binary files, to allow sharing between XDrawChem and other chemistry applications, and it can create images in popular formats like PNG and EPS. Features: - Fixed length, fixed angle drawing. - Automatic alignment of figures. Detects structures, text, and arrows and places them automatically. - Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in built-in library. - Can draw symbols such as partial charge, radicals, etc. - Can read MDL Molfiles, ChemDraw(TM) binary format, ChemDraw(TM) XML text format. - Can write MDL Molfiles, CML, ChemDraw(TM) XML text format. - Can also read and write any format supported by the OpenBabel. - Can export pictures in PNG, Windows bitmap (*.bmp), Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG). - Can generate 3-D structures with the help of the external program BUILD3D. - Online help, including tool tips. - 13C-NMR prediction - 1H-NMR prediction - Simple IR prediction. - Simple pKa estimation. - Octanol-water partition coefficient estimation. - Reaction analysis: gas-phase enthalpy change estimate, 1H NMR and 13C NMR comparison. - Integration with OpenBabel, allowing XDrawChem to read and write over 20 different chemical file formats.

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» pKa estimation » IR prediction » chemistry tool » molecule » drawing » chemistry

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