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Jmol JavaScript applet jmolApplet0__273830662956954__ initializing
Jmol getValue debug null
Jmol getValue logLevel null
Jmol getValue allowjavascript true
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vwrOptions:
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(C) 2015 Jmol Development
Jmol Version: 14.7.0_2016.06.27 2016-06-27 01:32
java.vendor: Java2Script (HTML5)
java.version: 2016-05-08 13:20:27 (JSmol/j2s)
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Jmol getValue emulate null
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Jmol getValue boxbgcolor null
Jmol getValue bgcolor #FFFFFF
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Jmol getValue ANIMFRAMECallback null
Jmol getValue APPLETREADYCallback Jmol._readyCallback
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callback set for APPLETREADYCallback Jmol._readyCallback APPLETREADY
Jmol getValue ATOMMOVEDCallback null
Jmol getValue CLICKCallback null
Jmol getValue DRAGDROPCallback null
Jmol getValue ECHOCallback null
Jmol getValue ERRORCallback null
Jmol getValue EVALCallback null
Jmol getValue HOVERCallback null
Jmol getValue IMAGECallback null
Jmol getValue LOADSTRUCTCallback null
Jmol getValue MEASURECallback null
Jmol getValue MESSAGECallback null
Jmol getValue MINIMIZATIONCallback null
Jmol getValue SERVICECallback null
Jmol getValue PICKCallback null
Jmol getValue RESIZECallback null
Jmol getValue SCRIPTCallback null
Jmol getValue SYNCCallback null
Jmol getValue STRUCTUREMODIFIEDCallback null
Jmol getValue doTranslate null
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Jmol getValue popupMenu null
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script 1 started
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The Resolver thinks Pdb
loadScript ./j2s/core/corebio.z.js
Output of DoGSiteScorer by A. Volkamer
Pocket 0 with 182 binding site atoms written.
References:
"A. Volkamer et al. Analyzing the topology of active sites: on the prediction of pockets and subpockets. J. Chem. Inf. Model. 2010,50(11), 2041-52"
"A. Volkamer et al. Combining global and local measures for structure-based druggability predictions. J. Chem. Inf. Model. 2012,52,360-372"
Geometric pocket center at 5.47 -3.87 23.64 with max radius 15.42
x ra
reading 182 atoms
ModelSet: haveSymmetry:false haveUnitcells:false 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
182 atoms created
ModelSet: autobonding; use autobond=false to not generate bonds automatically
Jmol 14.7.0_2016.06.27 2016-06-27 01:32 DSSP analysis for model 1.1 - x ra
W. Kabsch and C. Sander, Biopolymers, vol 22, 1983, pp 2577-2637
We thank Wolfgang Kabsch and Chris Sander for writing the DSSP software,
and we thank the CMBI for maintaining it to the extent that it was easy to
re-engineer in Java for our purposes.
"Second generation DSSP 2.0 is used in this analysis. See Int. J. Mol. Sci. 2014, 15, 7841-7864; doi:10.3390/ijms15057841."
All bioshapes have been deleted and must be regenerated.
Time for creating model: 38 ms
Output of DoGSiteScorer by A. Volkamer
Pocket 0 with 182 binding site atoms written.
References:
“A. Volkamer et al. Analyzing the topology of active sites: on the prediction of pockets and subpockets. J. Chem. Inf. Model. 2010,50(11), 2041-52”
“A. Volkamer et al. Combining global and local measures for structure-based druggability predictions. J. Chem. Inf. Model. 2012,52,360-372”
Geometric pocket center at 5.47 -3.87 23.64 with max radius 15.42
x ra
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loadScript ./j2s/core/coremenu.z.js
loadScript ./j2s/core/coreswing.z.js