|
A group environment annotation is indicated by a two-character
group environment annotation marker
(GEAM). A GEAM-based
annotations is atom-anchored.
The first character of a GEAM is a boundary symbol as in a
structural unit annotation or
the dot character in combination with the surface symbol
| (vertical bar).
The second character is R,
X, Y,
or | to indicate attachment to
an alkyl group, a
halogen atom, a
neighbor group of any kind,
or a surface of a solid material, respectively.
| GEAM |
Meaning in CurlySMILES annotation |
| -R |
single bond to alkyl group |
| -X |
single bond to halogen atom |
| -Y |
single bond to another group of any kind |
| =Y |
double bond to another group of any kind |
| #Y |
triple bond to another group of any kind |
| $Y |
quadruple bond to another group of any kind |
| :Y |
aromatic bond to another aromatic ring atom
or a group containing it |
| ~Y |
bond of unspecified type to another group of any kind,
which also can be a metal atom in a complex molecule
|
| -| |
single bond to substrate (material surface)
|
| ~| |
bond of any kind to substrate (material surface)
|
| .| |
ionic interaction with a material surface
|
|
