ptm (version 0.2.2)

foldx.stab: Compute Folding Free Energy (DG)

Description

Computes changes in the Gibbs free energy of the folding process of a protein.

Usage

foldx.stab(pdb, pH = 7, I = 0.05)

Arguments

pdb

the 4-letter identifier of a PDB structure or the path to a PDB file.

pH

a numeric value between 0 and 14.

I

a value indicating the molar ionic strength.

Value

The function computes and returns the DG (kcal/mol) of the folding process of the requested protein.

Details

This function implements the FoldX's command 'Stability'

References

Schymkowitz et al (2005) Nucl. Ac. Res. 33:W382-W388.

See Also

foldx.assembly()

Examples

# NOT RUN {
foldx.stab('5zok')
# }