I am using enzyme design application to mutate my enzyme. How can I extract a list of the pdb name, residues and residue number from the output generated by Rosetta.
The sequence recovery does something similar, but i need to know what residues have changed in what position. I am looking for trends hence I need to do this fo a bunch of pdbs that meet my cut off. Is there a quick way of getting a series of fastA files that I can view on any sequence alignment tool or a table ?
To generate fasta files from PDBs, I’d recommend using the main/source/src/python/apps/public/pdb2fasta.py script provided with Rosetta. Just pass it a list of PDB filenames, and it will output a fasta file representation to the standard output.