This function mutates every DNA base to itself and the other three in a systematic fashion producing a PDB for each mutation. It will also give you three outputs: -File Outputs ListDNAMutants_”Output_file”. In this file you will have the names of all the mutants you have made, as well as those of the corresponding WT references. Dif_”Output_file” This will be created if the pdb file is a complex between protein and DNA. Then it will write the difference in binding energy between the protein and DNA for the WT reference and the corresponding DNA mutants. The minimal configuration file for DNAScan:
After running DNAScan you'll get one file to look at. Given output-file="TAG" the output file is.
- DS_TAG.fxout -> average energy of the different runs By default ouput-file is setted to the first pdbId from the batch run
If you don't set output-file, TAG will be the pdbId of the first pdb on the batch.