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来自「c++编写的并行拉马克遗传算法的程序。实现分析对接程序」· 代码 · 共 9 行

dist_2.4/utils/protonate
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This is a utility written by David Case and Garry Gippert to add hydrogens
to a molecule.

Use '.kollua_polH' polar-Hydrogens for docking studies.