| Step 1: Upload your file
Example    Format converter

| Step 2: Set parameters
Select the preferred molecular preprocessing options

Set the order

If you select multiple items above, please provide a order. Every molecule will be processed by this order.

Set initial coordinates for a molecule


The default choices and orders(7, 6, 2) are suitable for most cases based on the experience of authors. Users should pick different combinations according to their purpose and their datasets. The wrong choice or combination will trigger corresponding errors, and it is normal.