PDB Structure Fully optimized PM7 Geometry Fully optimized PM6 Geometry
Jmol._Canvas2D (Jmol) "jmolAppletPM7_PDB"[x] script 1 started FileManager.getAtomSetCollectionFromFile(../PM7_PDB/Acyltransferase_(1LXA).pdb) FileManager opening url http://openmopac.net/PM7_accuracy/PM7_PDB/Acyltransferase_(1LXA).pdb The Resolver thinks Pdb ACYLTRANSFERASE 07-OCT-95 1LXA UDP N-ACETYLGLUCOSAMINE ACYLTRANSFERASE found biomolecule 1: A biomolecule 1: number of transforms: 3 Setting space group name to P 21 3 Time for openFile(../PM7_PDB/Acyltransferase_(1LXA).pdb): 1045 ms reading 3946 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 Babel 3946 atoms created ModelSet: autobonding; use autobond=false to not generate bonds automatically ACYLTRANSFERASE 07-OCT-95 1LXA UDP N-ACETYLGLUCOSAMINE ACYLTRANSFERASE found biomolecule 1: A |
Jmol._Canvas2D (Jmol) "jmolAppletPM7_OPT"[x] script 1 started FileManager.getAtomSetCollectionFromFile(../PM7_OPT/Acyltransferase_(1LXA).pdb) FileManager opening url http://openmopac.net/PM7_accuracy/PM7_OPT/Acyltransferase_(1LXA).pdb The Resolver thinks Pdb loadClass J.adapter.readers.pdb.PdbReader JSmol exec jmolAppletPM6_OPT start applet null Jmol JavaScript applet jmolAppletPM6_OPT__134827243191702__ initializing Jmol getValue debug null Jmol getValue logLevel null Jmol getValue allowjavascript null AppletRegistry.checkIn(jmolAppletPM6_OPT__134827243191702__) nographics false nographics false headless false vwrOptions: { "name":"jmolAppletPM6_OPT","applet":true,"documentBase":"http://openmopac.net/PM7_accuracy/PM7_proteins/Acyltransferase_(1LXA).html","platform":"J.awtjs2d.Platform","fullName":"jmolAppletPM6_OPT__134827243191702__","codePath":"http://openmopac.net/PM7_accuracy/PM7_proteins/../../jsmol/j2s/","display":"jmolAppletPM6_OPT_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol object]","syncId":"134827243191702","bgcolor":"#000000" } setting document base to "http://openmopac.net/PM7_accuracy/PM7_proteins/Acyltransferase_(1LXA).html" (C) 2015 Jmol Development Jmol Version: 14.4.0_2015.10.14 2015-10-14 19:01 java.vendor: Java2Script (HTML5) java.version: 2015-09-19 23:29:54 (JSmol/j2s) os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com) Access: ALL memory: 0.0/0.0 processors available: 1 useCommandThread: false appletId:jmolAppletPM6_OPT (signed) Jmol getValue emulate null defaults = "Jmol" Jmol getValue boxbgcolor null Jmol getValue bgcolor #000000 backgroundColor = "#000000" Jmol getValue ANIMFRAMECallback null Jmol getValue APPLETREADYCallback Jmol._readyCallback APPLETREADYCallback = "Jmol._readyCallback" 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 language=en_US Jmol getValue popupMenu null Jmol getValue script null Jmol getValue loadInline null Jmol getValue load null Jmol applet jmolAppletPM6_OPT__134827243191702__ ready |
Jmol._Canvas2D (Jmol) "jmolAppletPM6_OPT"[x] loadClass core.package loadClass java.lang.String loadClass core.package JSmol exec jmolAppletPM7_PDB start applet null Jmol JavaScript applet jmolAppletPM7_PDB__134827243191702__ initializing Jmol getValue debug null Jmol getValue logLevel null Jmol getValue allowjavascript null AppletRegistry.checkIn(jmolAppletPM7_PDB__134827243191702__) nographics false nographics false headless false vwrOptions: { "name":"jmolAppletPM7_PDB","applet":true,"documentBase":"http://openmopac.net/PM7_accuracy/PM7_proteins/Acyltransferase_(1LXA).html","platform":"J.awtjs2d.Platform","fullName":"jmolAppletPM7_PDB__134827243191702__","codePath":"http://openmopac.net/PM7_accuracy/PM7_proteins/../../jsmol/j2s/","display":"jmolAppletPM7_PDB_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol object]","syncId":"134827243191702","bgcolor":"#000000" } setting document base to "http://openmopac.net/PM7_accuracy/PM7_proteins/Acyltransferase_(1LXA).html" (C) 2015 Jmol Development Jmol Version: 14.4.0_2015.10.14 2015-10-14 19:01 java.vendor: Java2Script (HTML5) java.version: 2015-09-19 23:29:54 (JSmol/j2s) os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com) Access: ALL memory: 0.0/0.0 processors available: 1 useCommandThread: false appletId:jmolAppletPM7_PDB (signed) loadClass JS.ScriptManager JSmol exec jmolAppletPM7_OPT start applet null Jmol JavaScript applet jmolAppletPM7_OPT__134827243191702__ initializing Jmol getValue debug null Jmol getValue logLevel null Jmol getValue allowjavascript null AppletRegistry.checkIn(jmolAppletPM7_OPT__134827243191702__) nographics false nographics false headless false vwrOptions: { "name":"jmolAppletPM7_OPT","applet":true,"documentBase":"http://openmopac.net/PM7_accuracy/PM7_proteins/Acyltransferase_(1LXA).html","platform":"J.awtjs2d.Platform","fullName":"jmolAppletPM7_OPT__134827243191702__","codePath":"http://openmopac.net/PM7_accuracy/PM7_proteins/../../jsmol/j2s/","display":"jmolAppletPM7_OPT_canvas2d","signedApplet":"true","appletReadyCallback":"Jmol._readyCallback","statusListener":"[J.appletjs.Jmol object]","syncId":"134827243191702","bgcolor":"#000000" } setting document base to "http://openmopac.net/PM7_accuracy/PM7_proteins/Acyltransferase_(1LXA).html" (C) 2015 Jmol Development Jmol Version: 14.4.0_2015.10.14 2015-10-14 19:01 java.vendor: Java2Script (HTML5) java.version: 2015-09-19 23:29:54 (JSmol/j2s) os.name: Mozilla/5.0 AppleWebKit/537.36 (KHTML, like Gecko; compatible; ClaudeBot/1.0; +claudebot@anthropic.com) Access: ALL memory: 0.0/0.0 processors available: 1 useCommandThread: false appletId:jmolAppletPM7_OPT (signed) Jmol getValue emulate null defaults = "Jmol" Jmol getValue boxbgcolor null Jmol getValue bgcolor #000000 backgroundColor = "#000000" Jmol getValue ANIMFRAMECallback null Jmol getValue APPLETREADYCallback Jmol._readyCallback APPLETREADYCallback = "Jmol._readyCallback" 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 language=en_US Jmol getValue popupMenu null Jmol getValue script null Jmol getValue loadInline null Jmol getValue load null Jmol applet jmolAppletPM7_OPT__134827243191702__ ready script 1 started FileManager.getAtomSetCollectionFromFile(../PM6_OPT/Acyltransferase_(1LXA).pdb) FileManager opening url http://openmopac.net/PM7_accuracy/PM6_OPT/Acyltransferase_(1LXA).pdb The Resolver thinks Pdb ACYLTRANSFERASE 07-OCT-95 1LXA UDP N-ACETYLGLUCOSAMINE ACYLTRANSFERASE found biomolecule 1: A biomolecule 1: number of transforms: 3 Setting space group name to P 21 3 Time for openFile(../PM6_OPT/Acyltransferase_(1LXA).pdb): 531 ms reading 3946 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 Babel 3946 atoms created ModelSet: autobonding; use autobond=false to not generate bonds automatically ACYLTRANSFERASE 07-OCT-95 1LXA UDP N-ACETYLGLUCOSAMINE ACYLTRANSFERASE found biomolecule 1: A loadClass JS.CmdExt 3982 connections deleted ACYLTRANSFERASE 07-OCT-95 1LXA UDP N-ACETYLGLUCOSAMINE ACYLTRANSFERASE found biomolecule 1: A biomolecule 1: number of transforms: 3 Setting space group name to P 21 3 Time for openFile(../PM7_OPT/Acyltransferase_(1LXA).pdb): 3179 ms reading 3946 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 Babel 3946 atoms created ModelSet: autobonding; use autobond=false to not generate bonds automatically ACYLTRANSFERASE 07-OCT-95 1LXA UDP N-ACETYLGLUCOSAMINE ACYLTRANSFERASE found biomolecule 1: A Jmol getValue emulate null defaults = "Jmol" Jmol getValue boxbgcolor null Jmol getValue bgcolor #000000 backgroundColor = "#000000" Jmol getValue ANIMFRAMECallback null Jmol getValue APPLETREADYCallback Jmol._readyCallback APPLETREADYCallback = "Jmol._readyCallback" 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 language=en_US Jmol getValue popupMenu null Jmol getValue script null Jmol getValue loadInline null Jmol getValue load null Jmol applet jmolAppletPM7_PDB__134827243191702__ ready |