4 bound ligands:
CA 1(A)
Environment details ›
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Jmol JavaScript applet _PDBE_JMOL__784264212092606__ initializing
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setting document base to "https://www.ebi.ac.uk/pdbe/entry/pdb/3ohl/ligands"
(C) 2012 Jmol Development
Jmol Version: 14.3.6_2014.08.17b 2014-08-17 17:24
java.vendor: Java2Script (HTML5)
java.version: JSmol 14.3.6_2014.08.14
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s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/corescript.z.js
script 1 started
FileManager.getAtomSetCollectionFromFile(https://www.ebi.ac.uk/pdbe/entry-files/download/3ohl.cif)
FileManager opening 1 https://www.ebi.ac.uk/pdbe/entry-files/download/3ohl.cif
The Resolver thinks MMCif
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s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JU/CifDataParser.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: Non-Resonance Raman Difference Spectroscopy as a Tool to Probe Enthalpy-Entropy Compensation and the Interfacial Mobility Model
Setting space group name to HM:C 2 2 21
found biomolecule 1: A,B,C,D,E,F,G,H,I
found biomolecule 2: A,B,C,D,E,F,G,H,I
assembly operator 1 x,y,z
assembly operator 2 -x-1,y,-z+1/2
unknown CIF bond order: sing
unknown CIF bond order: sing
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: 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: 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: 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: 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: 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: 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: 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: 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: 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: 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(*3ohl): 1083 ms
reading 1322 atoms
ModelSet: haveSymmetry:false haveUnitcells:true haveFractionalCoord:false
1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them.
Default Van der Waals type for model set to Jmol
1322 atoms created
ModelSet: autobonding; use autobond=false to not generate bonds automatically
TITLE: Non-Resonance Raman Difference Spectroscopy as a Tool to Probe Enthalpy-Entropy Compensation and the Interfacial Mobility Model
found biomolecule 1: A,B,C,D,E,F,G,H,I
found biomolecule 2: A,B,C,D,E,F,G,H,I
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/corescriptmath.z.js
Script completed
Jmol script terminated
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JV/PropertyManager.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/coreprop.z.js
-- required by JV.PropertyManager
script 2 started
antialiasDisplay = true
antialiasTranslucent = true
debugScript = false
showScript = 0
chainCaseSensitive = true
measurementUnits = "angstroms"
autobond = true
forceAutoBond = true
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/corescriptcmd.z.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/J/shape/Halos.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/J/shapesurface/Contact.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/coresurface.z.js
-- required by J.shapesurface.Contact
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/J/shape/MeshCollection.js
-- required by J.shapesurface.Isosurface
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JU/XmlUtil.js
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contact ID "hb" {environmentAtoms} hbond color TRANSLUCENT 0.2 purple;
Contact pairs: 4
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/J/jvxl/readers/IsoIntersectReader.js
Contacts: 2 with net volume 0.9305208951471623 A^3
RasMol pseudo-hbond calculation
0 hydrogen bonds
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/core/coretext.z.js
Script completed
Jmol script terminated
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JV/OutputManagerJS.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/JV/OutputManager.js
-- required by JV.OutputManagerJS
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/J/render/HalosRenderer.js
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/J/g3d/CircleRenderer.js
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s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/javajs/img/ImageEncoder.js
-- required by javajs.img.Huffman
s://www.ebi.ac.uk/pdbe/software/jmol-future/jsmol/j2s/javajs/api/GenericImageEncoder.js
-- required by javajs.img.ImageEncoder
script 3 started
antialiasDisplay = true
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debugScript = false
showScript = 0
chainCaseSensitive = true
measurementUnits = "angstroms"
autobond = true
forceAutoBond = true
contact ID "hb" {environmentAtoms} hbond color TRANSLUCENT 0.2 purple;
Contact pairs: 23
Contacts: 6 with net volume 4.796717792006663 A^3
RasMol pseudo-hbond calculation
0 hydrogen bonds
Script completed
Jmol script terminated
script 4 started
antialiasDisplay = true
antialiasTranslucent = true
debugScript = false
showScript = 0
chainCaseSensitive = true
measurementUnits = "angstroms"
autobond = true
forceAutoBond = true
contact ID "hb" {environmentAtoms} hbond color TRANSLUCENT 0.2 purple;
Contact pairs: 0
Contacts: 0
RasMol pseudo-hbond calculation
0 hydrogen bonds
Script completed
Jmol script terminated
script 5 started
antialiasDisplay = true
antialiasTranslucent = true
debugScript = false
showScript = 0
chainCaseSensitive = true
measurementUnits = "angstroms"
autobond = true
forceAutoBond = true
contact ID "hb" {environmentAtoms} hbond color TRANSLUCENT 0.2 purple;
Contact pairs: 0
Contacts: 0
RasMol pseudo-hbond calculation
0 hydrogen bonds
Script completed
Jmol script terminated
script 6 started
antialiasDisplay = true
antialiasTranslucent = true
debugScript = false
showScript = 0
chainCaseSensitive = true
measurementUnits = "angstroms"
autobond = true
forceAutoBond = true
contact ID "hb" {environmentAtoms} hbond color TRANSLUCENT 0.2 purple;
Contact pairs: 6
Contacts: 0
RasMol pseudo-hbond calculation
0 hydrogen bonds
Script completed
Jmol script terminated
script 7 started
antialiasDisplay = true
antialiasTranslucent = true
debugScript = false
showScript = 0
chainCaseSensitive = true
measurementUnits = "angstroms"
autobond = true
forceAutoBond = true
contact ID "hb" {environmentAtoms} hbond color TRANSLUCENT 0.2 purple;
Contact pairs: 6
Contacts: 0
RasMol pseudo-hbond calculation
0 hydrogen bonds
Script completed
Jmol script terminated
script 8 started
antialiasDisplay = true
antialiasTranslucent = true
debugScript = false
showScript = 0
chainCaseSensitive = true
measurementUnits = "angstroms"
autobond = true
forceAutoBond = true
contact ID "hb" {environmentAtoms} hbond color TRANSLUCENT 0.2 purple;
Contact pairs: 5
Contacts: 0
RasMol pseudo-hbond calculation
0 hydrogen bonds
Script completed
Jmol script terminated
script 9 started
Script completed
Jmol script terminated
script 10 started
Script completed
Jmol script terminated
script 11 started
Script completed
Jmol script terminated
script 12 started
Script completed
Jmol script terminated
script 13 started
Script completed
Jmol script terminated
script 14 started
Script completed
Jmol script terminated
CA 2(A)
Environment details ›
CA 3(A)
Environment details ›
ZN 4(A)
Environment details ›
ZN 5(A)
Environment details ›
OHL 6(A)
Environment details ›
SO4 250(A)
Environment details ›