foldx.stab: Compute Folding Free Energy (DG)

View source: R/ddG.R

foldx.stabR Documentation

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.

Details

This function implements the FoldX's command 'Stability'

Value

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

Author(s)

Juan Carlos Aledo

References

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

See Also

foldx.assembly()

Examples

## Not run: foldx.stab('5zok')

ptm documentation built on Aug. 7, 2022, 5:05 p.m.

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