Import Coordinates...
Use this menu command to import the geometry of your molecule from file.
You can import coordinates from a .t21 file generated by ADF, from a .adf file as saved by ADFinput, or from a text file (for example, a .mol, a .xyz or a .pdb file).
If you import coordinates from a .t21 file note that the extension must be .t21. A name like 'TAPE21' will not work. Bond information will only be present when the .t21 file has been created using the ADF-GUI, version 2006 or later. If no bond information is not present, just the coordinates are imported and bonds will be guessed (and no distinction will be made between different kinds of bonds).
Importing from a .adf file is straight-forward: both coordinates and bond information is present so you will get exactly what you saved.
Importing from a .mol file will also give you both the coordinates and bond information contained in the file.
Importing from a text file is rather flexible: ADFinput needs three real numbers next to each other. These will be interpreted as x, y and z coordinate. One additional integer or the abbreviation of an element is also needed to identify the kind of atom.
To be recognized as real, the real number must contain a '.' (dot), and at least one digit before or after the dot. Real numbers with exponents (E or D) are not recognized.
If an integer is used to specify the element (the nuclear charge), it may not contain a '.' (dot).
Bond information is not imported, even if present in your file (unless importing from a .adf file or a .t21 file). After you have imported some coordinates, ADFinput tries to guess the bonds between the imported atoms. This might not be very accurate.
Z-matrix import (internal coordinates) is currently not available.
Directly after the 'Import Coordinates...' command the newly imported atoms are selected. This makes it easy to reposition them with respect to other atoms that may already be present, remove the automatically guessed bonds, or use other operations on the newly imported atoms and bonds.
