Guided Molecule Creation Mode

1.Upload an input file:

Molecule Drawing Instructions

1. Draw your molecule in 2D or:

    Search for a molecule:

    Read Geometry From a Previous Job:

2. to the 3D panel    Add hydrogens automatically



On the 3D model:
enantiomer diastereomer in a C
Inversion of configuration:
1. enable
2. highlight the central C and 
3. highlight the first atom in each of its 2 substituents to invert and 
4. do the
move atoms by dragging and optimize geometry automatically
delete atoms by clicking on them
Recalculate hydrogens now.
Load from a database:
name of the molecule or PDB ID:
Adjust the swiftness of response in the 3D panel (for mobile devices):
faster higher quality

3. the structure in 3D. (Several times may be needed; help)



Bond Alignment:
1. Click on the two atoms that share the bond
Atom 1: Atom 2:
2. Center on
3. Align bond with x or z axis?


4. Set Parameters for Quantum Mechanical Calculation



You may edit the data in the Input File box below.


Input File