Synopsis

FeatureMap [-hV] [--iA] [--iAng] [--iP] [--iPPI] [--iS] [--mI] [--rR] [-d=,] [--ddG=file] file…​

Description

Create a Feature Map for a given protein structure

Options

-d, --delimiter=,

Delimiter of input variant list file

--ddG, --ddgFile=file

Read in the folding free energy difference file

-h, --help

Print command help and exit.

--iA, --includeAcidity

Include acidity change in feature map.

--iAng, --includeAngles

Include ramachandran angles in feature map.

--iP, --includePolarity

Include polarity change in feature map.

--iPPI, --includePPI

Mark residue as being part of an interaction interface.

--iS, --includeStructure

Include secondary structure annotations in feature map.

--mI, --multiple isomers

Set this flag if the variant list contains variants from multiple isomers. Isomer should be in name of pdb file

--rR, --reRun

Reading in a CSV a second time. Specifically for gathering ppi information

-V, --version

Print the Force Field X version and exit.

Arguments

file…​

The atomic coordinate file in PDB or XYZ format, variant list file, and a free energy file