Molecule editor


Current structure. Rotate with left mouse button pressed; zoom with shift-key and l.mouse button pressed.

  1. Select monovalent atom with mouse button. Symbol and number appear in boxes below.
  2. From the drop down menu, select the group by which this atom is to be replaced.
    Replacing by XX(dummy) is equivalent to deleting an atom.
  3. Click Replace! to effect the replacement.
    This test file works for methyl group substitution only.
Selected atom: Number
Element
Replace by:

Ready? Then

  Current Mopac input data
After modifying the input data, by making manual changes and/or by changing the predefined settings for charge and orbital data, click the apply button below to update the structure.
Overall charge
Orbital data
Back to overview
eneditorm.pl Version 2.4, Jul 17, 2002
h.borkent@cmbi.kun.nl