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pages.zh/linux/obabel.md
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pages.zh/linux/obabel.md
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# obabel
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> 翻译与化学相关的数据。
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> 更多信息:<https://open-babel.readthedocs.io/en/latest/Command-line_tools/babel.html>。
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- 将 .mol 文件转换为 XYZ 坐标:
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`obabel {{path/to/file.mol}} -O {{path/to/output_file.xyz}}`
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- 将 SMILES 字符串转换为 500x500 的图片:
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`obabel -:"{{SMILES}}" -O {{path/to/output_file.png}} -xp 500`
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- 将 SMILES 字符串文件转换为单独的 3D .mol 文件:
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`obabel {{path/to/file.smi}} -O {{path/to/output_file.mol}} --gen3D -m`
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- 将多个输入渲染为一张图片:
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`obabel {{path/to/file1 path/to/file2 ...}} -O {{path/to/output_file.png}}`
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