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Jmol JavaScript applet _PDBE_JMOL__5255498479566514__ initializing
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setting document base to "https://www.ebi.ac.uk/pdbe/entry/pdb/6rot/ligands"
(C) 2012 Jmol Development
Jmol Version: 14.3.6_2014.08.17b 2014-08-17 17:24
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s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/corescript.z.js
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FileManager.getAtomSetCollectionFromFile(https://www.ebi.ac.uk/pdbe/entry-files/download/6rot.cif)
FileManager opening 1 https://www.ebi.ac.uk/pdbe/entry-files/download/6rot.cif
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-- required by J.adapter.readers.cif.MMCifReader
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JU/CifDataParser.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/corebio.z.js
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-- required by J.renderbio.BioShapeRenderer
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/J/shape/Mesh.js
TITLE: Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
Setting space group name to HM:C 1 2 1
found biomolecule 1: A,B,C,D,E,F,G,H,I,J,K,L,M,N
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: doub
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
unknown CIF bond order: sing
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/coresym.z.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JU/Tensor.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JU/Eigen.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/javajs/api/EigenInterface.js
-- required by JU.Eigen
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JU/EigenSort.js
Time for openFile(*6rot): 3795 ms
reading 5124 atoms
ModelSet: haveSymmetry:false haveUnitcells:true haveFractionalCoord:false
1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.
model 1.1 alternative locations: AB
Default Van der Waals type for model set to Babel
5124 atoms created
ModelSet: autobonding; use autobond=false to not generate bonds automatically
TITLE: Strategies for Late-Stage Optimization: Profiling Thermodynamics by Preorganization and Salt Bridge Shielding.
found biomolecule 1: A,B,C,D,E,F,G,H,I,J,K,L,M,N
Script completed
Jmol script terminated