atomSet0.1 ... atomSet0.63atomSet1.1 ... atomSet1.63... |
Atom sets. A comma-separated list of atom indices (0, ..., n -1). An atom in molecule cell number N will be in set M if its number appears in the atomSet N . M list. By default, all atoms are in set 0. |
N/A |
atomSetColor0...atomSetColor63 |
The atom set color in hex. |
N/A |
bondSet0.1 ... bondSet0.63bondSet1.1 ... bondSet1.63... |
Bond sets. A comma-separated list of atom index pairs in i - j format, where i , j = 0, ..., n -1. A bond in molecule cell number N will be in set M if the corresponding atom pair appears in the bondSet N . M list. By default, all bonds are in set 0. |
N/A |
bondSetColor1...bondSetColor63 |
The bond set color in hex. |
N/A |
clean2dOpts |
Options for 2D cleaning (0D->2D) See base 2D cleaning options |
N/A |
clean3dOpts |
Options for 3D cleaning (0D->3D) See base 3D cleaning options |
N/A |
cleanDim |
The number of space dimensions for cleaning.
2 - two-dimensional cleaning
3 - three-dimensional cleaning. See also: cleanOpts, importConv options |
2 |
cleanOpts |
Options for 2D or 3D cleaning. cleanOpts accepts the same parameter values as clean2dOpts or clean3dOpts depending on the cleaning dimension (cleanDim). |
N/A |
importConv |
Conversion(s) after molecule loading. Currently, the following options are implemented: - General aromatization ("a" or "+a")
- Basic aromatization ("a_bas" or "+a_bas")
- Dearomatization ("-a")
- Add explicit H atoms ("H" or "+H")
- Remove explicit H atoms ("-H")
- Automatic cleaning ("c")
|
N/A |
setColoringEnabled |
Atom/bond set coloring. |
true |