It prints the sequence information of the protein in a column format: AA, Chain, Pdb Number. The minimal configuration file for SequenceOnly is:
It can be run from the command line:
FoldX --command=SequenceOnly --pdb=SO.pdb
FoldX uses output-file as a tag to label different outputs from different commands in batch runs. After running SequenceOnly you'll get four files to look at. Given output-file="TAG" the output files are:
- SO_TAG.fxout -> sequence information. If you don't set output-file, TAG will be the pdbId of the first pdb on the batch.
- composition.fxout -> residue composition of the protein (individual_list mode)
- sequences.buildmodel -> sequences in the pdb on buildmodel format (mutant_file mode)
- sequences.fasta -> sequences in the pdb on fasta