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XDrawChem is a free software program for drawing chemical structural formulas, available for Unix and Mac OS. It is distributed under the GNU GPL. In Microsoft Windows this program is called WinDrawChem. == Major features == * Fixed length and fixed angle drawing * Automatic alignment of figures * 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 * Symbols such as partial charge and radicals * Reading MDL Molfiles, CML (Chemical Markup Language), ChemDraw binary format, ChemDraw XML text format * Writing MDL Molfiles, CML, ChemDraw XML text format * Integration with OpenBabel, allowing XDrawChem to read and write over 20 different chemical file formats. * Image export in Portable Network Graphics (PNG), Windows bitmap, Encapsulated PostScript (EPS), and Scalable Vector Graphics (SVG) * 3D structure generation with the help of the external program BUILD3D * Simple spectra predictions, including 13C-NMR, 1H-NMR (based on additive rules and functional group lookup methods), and IR * Simple property estimation, including pKa, octanol-water partition coefficient, and gas-phase enthalpy change. 抄文引用元・出典: フリー百科事典『 ウィキペディア（Wikipedia）』 ■ウィキペディアで「XDrawChem」の詳細全文を読む スポンサード リンク
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