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[ Source: solvate  ]

Package: solvate (1.0-3) [non-free]

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arranges water molecules around protein structures

For molecular dynamics simulations it is sometimes appropriate not to model in the vacuum but to have the proteins surrounded by their solvent. This program computes the location of water molecules such that the resulting PDB files become suitable for further analyses.

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Architecture Package Size Installed Size Files
amd64 38.1 kB98.0 kB [list of files]