The preamble of the e-LBOW output files is determined by the arguements to the builder. The default preamble is elbow.LIG.001 with the numbering of the file incremented for each run. The --overwrite option removes the numbering and overwrites files.
A list of the output files:
* "elbow.LIG.pdb" - final geometry file * "elbow.LIG.cif" - final restraints file * "elbow.LIG.pre_opt.pdb" - geometry of molecule prior to AM1 optimisation * "elbow.LIG.elbow_opt.xyz" - geometry at each step of the AM1 optimisation * "elbow.LIG.bonding.py" - python script to modify the bonding. See "--bonding". * "elbow.LIG.pickle" - serialisation of the molecule object * "elbow.LIG.options.pickle" - serialisation of the options use to run e-LBOW * "elbow.LIG.xyz" - final geometry when "--xyz" used * "elbow.LIG.pre_opt.xyz" - geometry prior to AM1 optimisation when "--xyz" used