CrystalMaker Help > Guide > Building

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Building a New Molecule

CrystalMaker gives you the option of working with non-periodic objects, i.e., molecules, as an alternative to using crystals. You can build a new molecule in one of three ways:

  1. By importing data in a text file. The file can be in one of a number of file formats (e.g., FDAT, PDB, MacMolecule).

  2. By typing data into the Edit Molecule Sheet (File > New Molecule).

  3. By converting an existing, crystal structure, to a molecule (Transform > Crystal to Molecule).

Interactive Molecule Building


You can easily edit a pre-existing molecule using the Arrow tool. You can select individual atoms, or groups of atoms, delete them, duplicate them (option-drag, or Selection > Duplicate) and/or move them. You can also detach a group of bonded atoms from the rest of the structure (Selection > Detach).

You can use the Add/Delete Bonds tool to generate bonds between atoms - or to remove a pre-existing bond. With this tool selected, click on a pair of atoms: if they are currently bonded then the bond will be deleted; otherwise, a new bond will be created between them.

(To create similar bonds throughout the structure, hold down the shift key as you click on the second atom.)