Prints all residue-residue interaction networks and residue details of a protein. The minimal configuration file for PrintNetworks is:
command=PrintNetworks pdb=PN.pdb
It can be run from the command line:
FoldX --command=PrintNetworks --pdb=PN.pdb
FoldX uses output-file as a tag to label different outputs from different commands in batch runs. After running SequenceOnly you'll get several files to look at. Given output-file="TAG" the output files are:
- "H_bonds_" + TAG + "_PN.fxout" -> H_bonds made by the protein atoms
- "volumetric_bonds_" + TAG + "_PN.fxout" -> Related to accesibility of the atoms
- “charge_bonds_" + TAG + "_PN.fxout" -> Electrostatic contributions of the different protein atoms
- “contact_bonds_" + TAG + "_PN.fxout" -> Contacts made by the protein atoms
- “disulfide_bonds_" + TAG + "_PN.fxout" -> Disulfide bonds if present
- “partcov_bonds_" + TAG + "_PN.fxout" -> Interactions made by protein atoms and metals
- “water_bonds_" + TAG + "_PN.fxout" -> Interactions made by protein atoms and water molecules
- “distances_" + TAG + "_PN.fxout" -> Distances between different protein atoms
If you don't set output-file, TAG will be the pdbId of the first pdb on the batch.
