/property_to_Bfac

Simple awk script to transfer properties indexed by amino acid type to a Bfactor column of the pdb file.

Primary LanguageAwkMIT LicenseMIT

property_to_Bfac

Simple awk script to transfer properties indexed by amino acid type to the Bfactor column of the pdb file. Use to generate coordinates that can be colored by B-factor in PyMol to display the distribution of some property (e.g. hydrophobicity, or whatever).

Handles 1 or 3-letter AA code, does simple error checking.

Input 1 - white space separated amino acid / property pairs; can have a single line header description.

Input 2 - pdb file to modify

Usage -

./property_to_Bfac.awk values_table.txt input.pdb > output.pdb