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yujialiang authored 2022-11-23 15:32 +08:00 . add readme for constants of chi_groups

chi_pi_periodic

氨基酸中是否相应扭转角具有对称不变性,即对应扭转角旋转180度不影响整体三维结构。二维数组,第一维长度21,代表20种不同的氨基酸与未知氨 基酸(UNK表示),第二维长度为4,对应四种扭转角(chi1,chi2,chi3,chi4),当对应氨基酸中含有对称不变性原子时,该索引位置数值为1.0。

value amino_acid
[0.0, 0.0, 0.0, 0.0] # ALA
[0.0, 0.0, 0.0, 0.0] # ARG
[0.0, 0.0, 0.0, 0.0] # ASN
[0.0, 1.0, 0.0, 0.0] # ASP
[0.0, 0.0, 0.0, 0.0] # CYS
[0.0, 0.0, 0.0, 0.0] # GLN
[0.0, 0.0, 1.0, 0.0] # GLU
[0.0, 0.0, 0.0, 0.0] # GLY
[0.0, 0.0, 0.0, 0.0] # HIS
[0.0, 0.0, 0.0, 0.0] # ILE
[0.0, 0.0, 0.0, 0.0] # LEU
[0.0, 0.0, 0.0, 0.0] # LYS
[0.0, 0.0, 0.0, 0.0] # MET
[0.0, 1.0, 0.0, 0.0] # PHE
[0.0, 0.0, 0.0, 0.0] # PRO
[0.0, 0.0, 0.0, 0.0] # SER
[0.0, 0.0, 0.0, 0.0] # THR
[0.0, 0.0, 0.0, 0.0] # TRP
[0.0, 1.0, 0.0, 0.0] # TYR
[0.0, 0.0, 0.0, 0.0] # VAL
[0.0, 0.0, 0.0, 0.0] # UNK
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