ptm (version 0.2.2)

get.area: Atomic Solvation Energies.

Description

Computes online surface energies using the Getarea server.

Usage

get.area(pdb, keepfiles = FALSE)

Arguments

pdb

is either a PDB id, or the path to a pdb file.

keepfiles

logical, if TRUE the dataframe will be saved in the working directory and we will keep the getarea txt file.

Value

This function returns a dataframe containing the requested information.

Details

If the option keepfiles is set as TRUE, then txt and Rda files are saved in the working directory.

References

Fraczkiewicz, R. and Braun, W. (1998) J. Comp. Chem., 19, 319-333.

See Also

compute.dssp(), atom.dpx(), res.dpx(), acc.dssp(), str.part()

Examples

# NOT RUN {
get.area('3cwm')
# }