File extentions

Important file extentions:

  • *.pdb
    These files contain information about one or more molecules. They are used as input file for SIMONAgui and are also part of the output of the POEM++ calculation.
  • *.xml
    Output files of SIMONAgui are xml. The xml-output file of POEM++ contains a snapshot of the last calculated simulation step. It can be used as input file for POEMPP again.
  • *.log
    Contains information about every calculation step carried out. Only the pieces of information selected in SIMONAgui (SIMONA Output) are printed in the log file.
  • *.py
    A python file. For example
  • *.spf
    Parameterfile used by Simona.
  • *.mol2
    This file containes information about the structure of molecules.
  • *.vcf
    Small file which contains coordinates of a molecule.