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) |