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ProteinLigandInteractionAnalysis

Symbols

  • AnalyzePoseFunctional
  • BuildConsensusMatrixForArrayPlot
  • ClassifyProteinLigandPose
  • ComputeProteinParameters
  • ConsensusHeatmapArray
  • ConsensusHeatmapByLabel
  • ConsensusSideChainFunctionalMapByLabel
  • LabelPose
  • LigandSideChainContactsDetailed
  • parseAtomLine
  • ParsePDBAtoms
  • PoseMetrics
  • ProteinAtomType
  • ProteinResidueKeys
  • SideChainFunctionalSummary
YingyingJin`ProteinLigandInteractionAnalysis`
parseAtomLine
​
parseAtomLine[line_StringfromPDB]
​
Details and Options

Examples  
(1)
Basic Examples  
(1)
In[1]:=
parseAtomLine["HETATM 3456 C1 ZINC A 401 15.234 10.987 -3.456 1.00 20.00 C "]
Out[1]=
RecordNameHETATM,AtomSerialNumber3456,AtomNameC1,ResidueNameZIN,ChainID,ResidueSequenceNumber40A,AtomCoordinates{15.23,43.92,3.55},Occupancy6.,TempFactor0.,Element,ChargeC
SeeAlso
""

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