软件包：autodock（4.2.6-9） [debports]
analysis of ligand binding to protein structure
AutoDock is a prime representative of the programs addressing the simulation of the docking of fairly small chemical ligands to rather big protein receptors. Earlier versions had all flexibility in the ligands while the protein was kept rather ridgid. This latest version 4 also allows for a flexibility of selected sidechains of surface residues, i.e., takes the rotamers into account.
The AutoDock program performs the docking of the ligand to a set of grids describing the target protein. AutoGrid pre-calculates these grids.
其他与 autodock 有关的软件包
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- dep: libc6.1 (>= 2.33)
- GNU C 语言运行库：共享库
同时作为一个虚包由这些包填实： libc6.1-udeb
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- dep: libgcc-s1 (>= 4.2)
- GCC 支持库
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- dep: libstdc++6 (>= 5.2)
- GNU 标准 C++ 库，第3版
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- dep: libunwind8
- library to determine the call-chain of a program - runtime
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- sug: autogrid
- pre-calculate binding of ligands to their receptor