[ 原始碼： propka ]
套件：python3-propka（3.5.1-2）
heuristic pKa calculations with ligands (Python 3)
PROPKA predicts the pKa values of ionizable groups in proteins (version 3.0) and protein-ligand complexes (version 3.1 and later) based on the 3D structure.
For proteins without ligands both versions should produce the same result.
This package installs the library for Python 3.
其他與 python3-propka 有關的套件
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- dep: python3
- interactive high-level object-oriented language (default python3 version)
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- sug: python-propka-doc
- heuristic pKa calculations with ligands (documentation)