Code name: xyz

Marvin imports and exports XYZ molecule files that have the following format:

[ # optional comment line ]          not written but allowed at import
[N]          always written, but can be omitted in imported files
[molecule name]          always written, but can be omitted in imported files
atom1 x y z
atom2 x y z
atomN x y z
Restrictions of the XYZ format: At import, the default behavior is to use the "any" bond type for all bonds, 0 charge for each atom, no implicit hydrogens.

Import options can be specified in the applet by writing "{options}" after the filename.

{f...}      Bond length cut-off. Two atoms can be connected if they are closer than the sum of their covalent radii times the cut-off value. Default: "{f1.12}"
{Z#}      Set maximum number of connections for element Z.
Example: "{f1.4,C4,H1}". This setting increases the cut-off value, but does not let Carbons to have more than 4 connections, and Hydrogens to have more than 1 connection.
{b}      Try to guess bond types, atom charges and implicit hydrogens from atom distances and valence rules.
Warning: This is an experimental feature. Since XYZ files do not contain bond information, these "guesses" can be different from the actual bond orders, especially in case of
-  radicals
-  missing Hydrogen atoms
-  complexes
The user should check the calculated bonds after import.
WARNING: Do not export 2D drawings in XYZ! XYZ export in Marvin is only meaningful for imported 3D molecules with realistic atomic distances.