Adding query properties to structures.
|
Name
|
Description
|
|---|---|
| .H+ | Increase number of total hydrogens (total number of hydrogen substituents) |
| .H- | Decrease number of total hydrogens (total number of hydrogen substituents) |
| .v+ | Increase number of valence (total bond order) |
| .v- | Decrease number of valence (total bond order) |
| .X+ | Increase number of connections (number of substituents including hydrogens) |
| .X- | Decrease number of connections (number of substituents including hydrogens) |
| .R- | Increase number of rings (number of rings the atom is a member of) |
| .R+ | Decrease number of rings (number of rings the atom is a member of) |
| .r+ | Increase smallest ring size (size of the smallest ring the atom is a member of) |
| .r- | Decrease smallest ring size (size of the smallest ring the atom is a member of) |
| .rb+ | Increase ring bond count (number of ring bonds next to the atom) |
| .rb- | Decrease ring bond count (number of ring bonds next to the atom) |
| .s+ | Increase substitution count (number of non-hydrogen and isotopic hydrogen substituents) |
| .s- | Decrease substitution count (number of non-hydrogen and isotopic hydrogen substituents) |
| .h+ | Increase number of implicit hydrogens (number of implicit hydrogen substituents) |
| .h- | Decrease number of implicit hydrogens (number of implicit hydrogen substituents) |
| .D+ | Increase degree (equivalent to substitution count: number of non-hydrogen and isotopic hydrogen substituents) |
| .D- | Decrease degree (equivalent to substitution count: number of non-hydrogen and isotopic hydrogen substituents) |
| .u | Mark as unsaturated atom (atom has double, triple or aromatic bond) |
| .a/A | Mark as aromatic/aliphatic (has aromatic bond) |