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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:
- By importing data in a text file. The file can
be in one of a number of file formats (e.g., FDAT,
PDB, MacMolecule).
- By typing data into the Edit Molecule Sheet
(File > New Molecule).
- By converting an existing, crystal structure,
to a molecule (Transform > Crystal to Molecule).
Interactive Molecule Building
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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).
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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.)
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