solvate
arranges water molecules around protein structures
Install
- All systems
-
curl cmd.cat/solvate.sh
- Ubuntu
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apt-get install solvate - Kali Linux
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apt-get install solvate - Windows (WSL2)
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sudo apt-get updatesudo apt-get install solvate - Dockerfile
- dockerfile.run/solvate
solvate
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.