A worldwide e-Infrastructure for NMR and structural biology

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JobControl - utility to manage multi jobs submission (for site admin)

JobControl is a python utility that manage the submission and retrieval of  thousand of jobs; it can also manage the SE copy and replica.

 This utilitiy uses a sqlite DB to store the jobs status information.

example of xml input for maxocc calculation:

  <Certificate file="/home/webtest/WebENMR/data/.cert/x509up_u1"/>
  <Project name="provasaxs">
    <CERequired>as-ce01.euasiagrid.org deimos.htc.biggrid.nl ce-enmr.chemie.uni-frankfurt.de phoebe.htc.biggrid.nl</CERequired>
      <LifeTime time="90"/>
        <Destination name="se-enmr.cerm.unifi.it"/>
        <Names remote="314125230_cu_in.tgz" local="/home/webenmr/WebENMR/data/maxocc_data/741048831/provasaxs/curve_input.tgz"/>
    <Job jdl="/mnt/maxocc/data/webenmr_maxocc_data/741048831/provasaxs/sub_usecase/input_w0.0001_1/run_a-map_mu.jdl"/>
    <Job jdl="/mnt/maxocc/data/webenmr_maxocc_data/741048831/provasaxs/sub_usecase/input_w0.0001_2/run_a-map_mu.jdl"/>
    <Job jdl="/mnt/maxocc/data/webenmr_maxocc_data/741048831/provasaxs/sub_usecase/input_w0.0001_3/run_a-map_mu.jdl"/>
    <Job jdl="/mnt/maxocc/data/webenmr_maxocc_data/741048831/provasaxs/sub_usecase/input_w0.0001_4/run_a-map_mu.jdl"/>
    <Job jdl="/mnt/maxocc/data/webenmr_maxocc_data/741048831/provasaxs/sub_usecase/input_w0.0001_5/run_a-map_mu.jdl"/>
    <Job jdl="/mnt/maxocc/data/webenmr_maxocc_data/741048831/provasaxs/sub_usecase/input_w0.0001_6/run_a-map_mu.jdl"/>
    <Job jdl="/mnt/maxocc/data/webenmr_maxocc_data/741048831/provasaxs/sub_usecase/input_w0.0001_7/run_a-map_mu.jdl"/>
    <Job jdl="/mnt/maxocc/data/webenmr_maxocc_data/741048831/provasaxs/sub_usecase/input_w0.0001_8/run_a-map_mu.jdl"/>


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Cite WeNMR/WestLife

Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
"The FP7 WeNMR (project# 261572), H2020 West-Life (project# 675858) and the EOSC-hub (project# 777536) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, TW-NCHC, SURFsara and NIKHEF, and the additional support of the national GRID Initiatives of Belgium, France, Italy, Germany, the Netherlands, Poland, Portugal, Spain, UK, Taiwan and the US Open Science Grid."
And the following article describing the WeNMR portals should be cited:
Wassenaar et al. (2012). WeNMR: Structural Biology on the Grid.J. Grid. Comp., 10:743-767.


The WeNMR Virtual Research Community has been the first to be officially recognized by the EGI.

European Union

WeNMR is an e-Infrastructure project funded under the 7th framework of the EU. Contract no. 261572

WestLife, the follow up project of WeNMR is a Virtual Research Environment e-Infrastructure project funded under Horizon 2020. Contract no. 675858