ZooWork
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coot-rdkit

RDKit molecular manipulation and visualization within Coot's Python environment. Use when working with Coot and need to (1) Create RDKit molecules from Coot monomers, (2) Modify molecular structures (e.g., atom substitution), (3) Generate 2D chemical structure diagrams, (4) Perform cheminformatics operations on ligands or small molecules loaded in Coot.

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pemsley
pemsley-coot-rdkit · v1.0.1
分类data-analytics
安装次数10
更新时间2026-08-27T10:00:57.711Z
校验状态待验证