Structural model attributes#
Structural model attributes are defined in the structuralModel attribute space (short name: sm), that matches only structural model nodes.
Attributes inherited from the node attribute space:
| Attribute name | Short name | Possible values | Examples |
|---|---|---|---|
| hasMaterial | hm |
true, false |
sm.hmnot sm.hm |
| hidden | h |
true, false |
sm.hnot sm.h |
| name | n |
strings in quotes | sm.n "A"sm.n "L*" |
| ownsMaterial | om |
true, false |
sm.om |
| selected | true, false |
sm.selectednot sm.selected |
|
| selectionFlag | sf |
true, false |
sm.sf falsesm.sf |
| visibilityFlag | vf |
true, false |
sm.vf falsesm.vf |
| visible | v |
true, false |
sm.vnot sm.v |
Attributes specific to the structuralModel attribute space:
| Attribute name | Short name | Possible values | Examples |
|---|---|---|---|
| formalCharge | fc |
integers | sm.fc > 1sm.fc 6:8 |
| numberOfAtoms | nat |
integers | sm.nat < 1000sm.nat 100:200 |
| numberOfCarbons | nC |
integers | sm.nC < 10sm.nC 10:20 |
| numberOfChains | nc |
integers | sm.nc < 3sm.nc 2:4 |
| numberOfCoarseGrainedAtoms | ncga |
integers | sm.ncga < 1000sm.ncga 100:200 |
| numberOfHydrogens | nH |
integers | sm.nH < 10sm.nH 10:20 |
| numberOfMolecules | nm |
integers | sm.nm < 3sm.nm 2:4 |
| numberOfNitrogens | nN |
integers | sm.nN < 10sm.nN 10:20 |
| numberOfOxygens | nO |
integers | sm.nO < 10sm.nO 10:20 |
| numberOfResidues | nr |
integers | sm.nr > 130sm.nr 100:130 |
| numberOfSegments | ns |
integers | sm.ns < 3sm.ns 1:3 |
| numberOfStructuralGroups | nsg |
integers | sm.nsg > 10sm.nsg 10:13 |
| numberOfSulfurs | nS |
integers | sm.nS < 10sm.nS 10:20 |
| partialCharge | pc |
real | sm.pc > 1.5sm.pc 1.5:2.0 |
formalCharge#
The structuralModel.formalCharge attribute (short name: sm.fc) matches structural models with specific total formal charge.
Possible values: integers.
Examples:
structuralModel.fc 1(short version:sm.fc 1): matches structural models with formal charge equal to 1structuralModel.fc 6:8(short version:sm.fc 6:8): matches structural models with formal charge between 6 and 8
hasMaterial#
Inherited from node.hasMaterial.
hidden#
Inherited from node.hidden.
name#
Inherited from node.name.
numberOfAtoms#
The structuralModel.numberOfAtoms attribute (short name: sm.nat) matches structural models with specific number of atoms.
Possible values: integers.
Examples:
structuralModel.nat > 100(short version:sm.nat > 100): matches structural models with the number of atoms more than 100structuralModel.nat 100:200(short version:sm.nat 100:200): matches structural models with the number of atoms between 100 and 200
numberOfCarbons#
The structuralModel.numberOfCarbons attribute (short name: sm.nC) matches structural groups with specific number of Carbon atoms. It works in the similar way as the numberOfAtoms attribute.
numberOfChains#
The structuralModel.numberOfChains attribute (short name: sm.nc) matches structural models with specific number of chains.
Possible values: integers.
Examples:
structuralModel.numberOfChains < 3(short version:sm.nc < 3): matches structural models with the number of chains less than 3structuralModel.numberOfChains 2:4(short version:sm.nc 2:4): matches structural models with the number of chains between 2 and 4
numberOfCoarseGrainedAtoms#
The structuralModel.numberOfCoarseGrainedAtoms attribute (short name: sm.ncga) matches structural groups with specific number of coarse-grained atoms. It works in the similar way as the numberOfAtoms attribute.
numberOfHydrogens#
The structuralModel.numberOfHydrogens attribute (short name: sm.nH) matches structural groups with specific number of Hydrogen atoms. It works in the similar way as the numberOfAtoms attribute.
numberOfMolecules#
The structuralModel.numberOfMolecules attribute (short name: sm.nm) matches structural models with specific number of molecules.
Possible values: integers.
Examples:
structuralModel.numberOfMolecules < 3(short version:sm.nm < 3): matches structural models with the number of molecules less than 3structuralModel.numberOfMolecules 2:4(short version:sm.nm 2:4): matches structural models with the number of molecules between 2 and 4
numberOfNitrogens#
The structuralModel.numberOfNitrogens attribute (short name: sm.nN) matches structural groups with specific number of Nitrogen atoms. It works in the similar way as the numberOfAtoms attribute.
numberOfOxygens#
The structuralModel.numberOfOxygens attribute (short name: sm.nO) matches structural groups with specific number of Oxygen atoms. It works in the similar way as the numberOfAtoms attribute.
numberOfResidues#
The structuralModel.numberOfResidues attribute (short name: sm.nr) matches structural models with specific number of residues.
Possible values: integers.
Examples:
structuralModel.numberOfResidues > 100(short version:sm.nr > 100): matches structural models with the number of residues greater than 100structuralModel.numberOfResidues 100:120(short version:sm.nr 100:120): matches structural models with the number of residues between 100 and 120
numberOfSegments#
The structuralModel.numberOfSegments attribute (short name: sm.ns) matches structural models with specific number of segments.
Possible values: integers.
Examples:
structuralModel.numberOfSegments > 2(short version:sm.ns > 2): matches structural models with the number of segments greater than 2structuralModel.numberOfSegments 2:4(short version:sm.ns 2:4): matches structural models with the number of segments between 2 and 4
numberOfStructuralGroups#
The structuralModel.numberOfStructuralGroups attribute (short name: sm.nsg) matches structural models with specific number of structural groups.
Possible values: integers.
Examples:
structuralModel.numberOfStructuralGroups > 10(short version:sm.nsg > 10): matches structural models with the number of structural groups greater than 10structuralModel.numberOfStructuralGroups 10:12(short version:sm.nsg 10:12): matches structural models with the number of structural groups between 10 and 12
numberOfSulfurs#
The structuralModel.numberOfSulfurs attribute (short name: sm.nS) matches structural groups with specific number of Sulfur atoms. It works in the similar way as the numberOfAtoms attribute.
ownsMaterial#
Inherited from node.ownsMaterial.
partialCharge#
The structuralModel.partialCharge attribute (short name: sm.pc) matches structural models with specific total partial charge.
Possible values: real.
Examples:
structuralModel.pc 1(short version:sm.pc 1): matches structural models with partial charge equal to 1structuralModel.pc 1.5:2.0(short version:sm.pc 1.5:2.0): matches structural models with partial charge between 1.5 and 2.0
selected#
Inherited from node.selected, but without the short name s.
selectionFlag#
Inherited from node.selectionFlag.
visibilityFlag#
Inherited from node.visibilityFlag.
visible#
Inherited from node.visible.