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ProteinLigandInteractionAnalysis

Symbols

  • AnalyzePoseFunctional
  • BuildConsensusMatrixForArrayPlot
  • ClassifyProteinLigandPose
  • ComputeProteinParameters
  • ConsensusHeatmapArray
  • ConsensusHeatmapByLabel
  • ConsensusSideChainFunctionalMapByLabel
  • LabelPose
  • LigandSideChainContactsDetailed
  • parseAtomLine
  • ParsePDBAtoms
  • PoseMetrics
  • ProteinAtomType
  • ProteinResidueKeys
  • SideChainFunctionalSummary
YingyingJin`ProteinLigandInteractionAnalysis`
ComputeProteinParameters
​
ComputeProteinParameters[protein_file(PDB),deltaR:2.5,deltaZ:1.5]
XXXX
​
Details and Options

Examples  
(1)
Basic Examples  
(1)
In[1]:=
cylFile="/Users/yingyingjin/Dropbox/NewMoleculeProject/DynamicBind/cylindrinA.pdb";​​barrelParams=ComputeProteinParameters[cylFile];​​
Number of CA atoms used: 66
​
In[2]:=
barrelParams
Out[2]=
Origin{0.000454545,0.00030303,-0.00030303},Axis{0.566286,0.820705,0.0759152},Rshell7.02235,Zmin-15.0955,Zmax14.5308,Rpore4.52235,Zlow-13.5955,Zhigh13.0308
SeeAlso
""

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