#分子模拟#可视化软件VMD原子选择详解

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chain str the one-character chain identifier 特征链 residue num a set of connected atoms with the same residue number 一组具有相同残基数的连接原子 protein bool a residue with atoms named C, N, CA, and O 蛋白 nucleic bool a residue with atoms named P, O1P, O2P and either 核酸

O3’, C3’, C4’, C5’, O5’ or O3 , C3 , C4 , C5 , O5*.


This definition assumes that the base is phosphorylated,


an assumption which will be corrected in the future.
backbone bool the C, N, CA, and O atoms of a protein 骨架

and the equivalent atoms in a nucleic acid.
sidechain bool non-backbone atoms and bonds 侧链 water, bool all atoms with the resname H2O, HH0, OHH, HOH, 水 waters
OH2, SOL, WAT, TIP, TIP2, TIP3 or TIP4
fragment num a set of connected residues 联系残基 pfrag num a set of connected protein residues 联系蛋白残基 nfrag num a set of connected nucleic residues
sequence str a sequence given by one letter names 单字符序列 numbonds num number of bonds 成键数 resname str residue name 残基名 resid num residue id 残基id segname str segment name 片段名 x, y, z

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