MDAnalysis selection language

Please refer to MDAnalysis documentation (here) for a detailed explanation about the language and some examples.

Select from the python console

select("water within 3.0 not protein") #default name of the selection will be "selection"
select("chain A and resid 1:10","name of my selection")

Note that select applies to all loaded molecules. If you want to apply only on a molecule do:

select("1KX2 and not protein")

Create a selection in C#

MDAnalysisSelection selec = new MDAnalysisSelection("protein and water", s.currentModel.allAtoms); #A list of UnityMolAtom
UnityMolSelection ret = selec.process();

Note that one can name a selection and use it in another selection, example:

select("1KX2 and ligand", "myLigandSel")
addSelectionKeyword("myLigand","myLigandSel")#Record the myLigand keyword associated to myLigandSel selection
select("myLigand and type FE","FELigand")

Examples of selections

select("prop y > 0.0", "aboveZero")