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tripos相关的网络例句

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METHODS The structures of compound I, extracted from Clausena lansium Skeels, and synthesized compound III were determined by single crystal X-ray diffraction analysis. The stereo-structures of compound II and IV were also built up through Tripos force field based on crystal structures of compound I and III. RESULTS The molecular formula and molecular weight were found to be C18H17O2N and 279.34 respectively.

方法用单晶X-射线衍射分析法测定了从植物黄皮提取物中分离得到的化合物I和采用合成方法得到的化合物III的晶体结构,并用分子力学计算方法分别模建化合物II和IV的立体结构。

Supported input file formats include Brookhaven Protein Databank, Tripos Associates' Alchemy and Sybyl Mol2 formats, Molecular Design Limited's Mol file format, Minnesota Supercomputer Centre's XYZ format and CHARMm format files. Different parts of the molecule may be represented and coloured independently of the rest of the molecule or displayed in several representations simultaneously.

支持的输出文件格式包括pdb,mdl,msc,xmol,CHARMm 分子的不同部分可以在颜色和代号上相互区别,也可以以不同的表示方式同时呈现。

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