solvate

arranges water molecules around protein structures

Description

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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Homepage

https://www3.mpibpc.mpg.de/groups/grubmueller/start/index.html


Install this software package

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Install solvate