PRIRODA Optimizer was written as one of master's projects by our student group at the Chemoinformatics and Molecular modeling laboratory, KFU located in Kazan, Russia. The reason why we decided to create it was to prepare input files when the user needs to do some quantum chemistry calculations at "Priroda". At first, it needs a lot of time, because all preparation should be done manually. The next reason is the consequences of the first one. You need to be very accurate to avoid potential mistakes that could follow to mistakes in the result of calculations or to increase the amount of calculation time that in quantum chemistry is already required. To make it faster, clear and correct we have written "PRIRODA Optimizer".

• Low speed of input-files preparation
• The high probability to make a mistake by manually generating of input-files
• The API of “Priroda” is not user-friendly

To be honest the mentioned problems are not rare in science society. Unfortunately. It’s the common and widespread scientific thing that doesn’t allow science to develop faster.

• Input verification:
  • Atoms
  • Coordinates
  • Energy
  • Charge
  • Multiplicity
  • Hessian
• Input transformation:
  • Modification of .xyz-file into required format as an object of class.