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Tools
- create QC files -

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  select force field mmff94 mmff94s uff gaff ghemical

  Gaussian control   Gaussian options

  GAMESS control

Download

• You can obtain input files for "Gaussian" and "GAMESS" quantum chemistry programs .
• To obtain the 2D structues, please click the "Create" button.
• Please write a SMILES representation for each row in the textbox
• We can convert up to 2,000 entries at a time. (This restriction will be relaxed in the near future.)
• You can input SMILES entries in the textbox from a file by using "Choose File".
• You can use a CSV file in "Choose File". If a "SMILES" column exists in the file, its entries are read in the textbox.
• Open Babel is employed in this conversion.