Autodock CSF4 Opal Service Tutorialx

Pp.Jordan

Description

AUTODOCK_CSF4 Opal Service TTtutoorialYuan LuoSchool of Informatics and Computing, Indiana UniversityNational Biomedical Computation ResourceCenter for Research in Biological SystemsUniversity of California, San [e-mail], [e-mail]://www.cs.indiana.edu/~yuanluoAutAutodock_CSF4CSF4 SerService• Input:  ...

Informations

• Publié par: Niphar
• Nombre de lectures: 28
• Langue: Latin

Extrait

AUTODOCK_CSF4OpalService u

YuanLuo SchoolofInformaticsandComputing,IndianaUniversity NationalBiomedicalComputationResource CenterforResearchinBiologicalSystems UniversityofCalifornia,SanDiego [e-mail],[e-mail] http://www.cs.indiana.edu/~yuanluo

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Input: Procedure:

Output:

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OutputURLoAutoDocNCILi Downloadinputfiles DataStagein AutodockExecution DataStageout URLtoalltheoutputfiles

raryScreening

 AutoDockNCILibraryScreening htt : kr tonite.nbcr.net o al2 dashboard  AUTODOCK_CSF4 ttp: m rume.n cr.net opa as oar

BasicInput: 1)Schedulertobeused CSF 2)URLfromwheretheautogridfileswillbedownloaded Sam leURL:tonite.nbcr.net/a 1245867437585htt ://kr 3)UploadyourTemplateDPF 4)Existinglibrarytobeusedforscreening

Output:AURL.

#TemplateDPFfile ga_num_evals50000 _ _ ga_run10

#maximumnumberofenergyevaluations #dothismanyhybridGA‐LSruns

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Input: Output: AURLofoutputfiles.

JobStatusCheck: – {$OutputURL}/stdout.txt DetailedJobStatus

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ttp: rypton te.n cr.net app Servicelocation:https://rocks‐32.sdsc.edu:8443/wsrf/services/metascheduler/JobService CreateandSubmitArrayJobSuccessfully:000001,JobCount:6 QueryJobStatusBycsf‐job‐status000001 [FriJul3118:06:11PDT2009]CheckJobStatus:JobID=000001 [FriJul3118:06:11PDT2009]JobStatus:Pending [FriJul3118:06:16PDT2009]JobStatus:Created [FriJul3118:07:21PDT2009]JobStatus:Created [FriJul3118:08:27PDT2009]JobStatus:Forwarded [FriJul3118:09:31PDT2009]NumberofPDone:6,outofTotalNumber:6 [FriJul3118:09:31PDT2009]JobStatus:PDone [FriJul3118:10:31PDT2009]JobStatus:PDone [FriJul3118:10:31PDT2009]JobSuccessfullyCompleted.Detailedinformationcanberetrieved fromautodock1249088760735029000/csf.statusfile.

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rray o : getStatus()=> ArrayJobName:000001 User:nbcruser RSL:&(directory="autodock_csf/autodock1249088760735029000")(arguments="‐p""@A.dpf""‐l" "[e-mail]")(executable="autodock4")(stderr="vs.error.@A")(stdout="vs.output.@A") ArrayBegin:1|ArrayEnd:6 SubmissionTime:18:06:09 ActiveSub‐JobInformation: . 1PRAGMA52FORK18:06:38PDone18:08:13 2PRAGMA153SGE18:06:46PDone18:07:42 3SakuraSGE18:07:12PDone18:08:23 4YukiSGE18:07:18PDone18:08:26 5PRAGMA153SGE18:07:26PDone18:08:29 6SakuraSGE18:07:49PDone18:08:39