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PyMolで分子の末端にアミノ酸を追加する。

Last updated at Posted at 2019-10-03

概要

分子の末端にアミノ酸を追加する方法を調べてもなかなかヒットしなかったのでメモする。

環境

macOS Mojave 10.14.6
PyMol 2.3.1

末端のアミノ酸の確認

末端のアミノ酸の残基番号と、C末端かN末端かを調べる。

アミノ酸の追加

ここを参照した。
例として残基番号123のC末端にアラニンを追加する。

cmd.select('c_123', 'resi 123 and name c')
editor.attach_amino_acid('c_123', 'ala')
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