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 | floats | 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 1
- structuralModel.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 100
- structuralModel.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 3
- structuralModel.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 3
- structuralModel.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 100
- structuralModel.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 2
- structuralModel.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 10
- structuralModel.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 1
- structuralModel.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.