Web Analytics Made Easy - Statcounter
Skip to content

Molecule attributes#

Molecule attributes are defined in the molecule attribute space (short name: mol), that matches only molecule nodes.

Attributes inherited from the node attribute space:

Attribute name Short name Possible values Examples
hasMaterial hm true, false mol.hm
not mol.hm
hidden h true, false mol.h
not mol.h
name n strings in quotes mol.n "A"
mol.n "L*"
ownsMaterial om true, false mol.om
selected true, false mol.selected
not mol.selected
selectionFlag sf true, false mol.sf false
mol.sf
visibilityFlag vf true, false mol.vf false
mol.vf
visible v true, false mol.v
not mol.v

Attributes inherited from the structuralGroup attribute space:

Attribute name Short name Possible values Examples
formalCharge fc integers mol.fc > 1
mol.fc 6:8
numberOfAtoms nat integers mol.nat < 1000
mol.nat 100:200
numberOfCarbons nC integers mol.nC < 10
mol.nC 10:20
numberOfHydrogens nH integers mol.nH < 10
mol.nH 10:20
numberOfNitrogens nN integers mol.nN < 10
mol.nN 10:20
numberOfOxygens nO integers mol.nO < 10
mol.nO 10:20
numberOfSulfurs nS integers mol.nS < 10
mol.nS 10:20
numberOfCoarseGrainedAtoms ncga integers mol.ncga < 1000
mol.ncga 100:200
partialCharge pc floats mol.pc > 1.5
mol.pc 1.5:2.0

Attributes specific to the molecule attribute space:

Attribute name Short name Possible values Examples
numberOfChains nc integers mol.nc < 3
mol.nc 2:4
numberOfResidues nr integers mol.nr > 130
mol.nr 100:130
numberOfSegments ns integers mol.ns < 3
mol.ns 1:3
numberOfStructuralGroups nsg integers mol.nsg > 10
mol.nsg 10:13

formalCharge#

Inherited from structuralGroup.formalCharge.

hasMaterial#

Inherited from node.hasMaterial.

hidden#

Inherited from node.hidden.

name#

Inherited from node.name.

numberOfAtoms#

Inherited from structuralGroup.numberOfAtoms.

numberOfCarbons#

Inherited from structuralGroup.numberOfCarbons.

numberOfChains#

The molecule.numberOfChains attribute (short name: mol.nc) matches molecules with specific number of chains.

Possible values: integers.

Examples:

  • molecule.numberOfChains < 3 (short version: mol.nc < 3): matches molecules with the number of chains less than 3
  • molecule.numberOfChains 2:4 (short version: mol.nc 2:4): matches molecules with the number of chains between 2 and 4

numberOfCoarseGrainedAtoms#

Inherited from structuralGroup.numberOfCoarseGrainedAtoms.

numberOfHydrogens#

Inherited from structuralGroup.numberOfHydrogens.

numberOfNitrogens#

Inherited from structuralGroup.numberOfNitrogens.

numberOfOxygens#

Inherited from structuralGroup.numberOfOxygens.

numberOfResidues#

The molecule.numberOfResidues attribute (short name: mol.nr) matches molecules with specific number of residues.

Possible values: integers.

Examples:

  • molecule.numberOfResidues > 100 (short version: mol.nr > 100): matches molecules with the number of residues greater than 100
  • molecule.numberOfResidues 100:120 (short version: mol.nr 100:120): matches molecules with the number of residues between 100 and 120

numberOfSegments#

The molecule.numberOfSegments attribute (short name: mol.ns) matches molecules with specific number of segments.

Possible values: integers.

Examples:

  • molecule.numberOfSegments > 2 (short version: mol.ns > 2): matches molecules with the number of segments greater than 2
  • molecule.numberOfSegments 2:4 (short version: mol.ns 2:4): matches molecules with the number of segments between 2 and 4

numberOfStructuralGroups#

The molecule.numberOfStructuralGroups attribute (short name: mol.nsg) matches molecules with specific number of structural groups.

Possible values: integers.

Examples:

  • molecule.numberOfStructuralGroups > 10 (short version: mol.nsg > 10): matches molecules with the number of structural groups greater than 10
  • molecule.numberOfStructuralGroups 10:12 (short version: mol.nsg 10:12): matches molecules with the number of structural groups between 10 and 12

numberOfSulfurs#

Inherited from structuralGroup.numberOfSulfurs.

ownsMaterial#

Inherited from node.ownsMaterial.

partialCharge#

Inherited from structuralGroup.partialCharge.

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.