A worldwide e-Infrastructure for NMR and structural biology

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List of all WeNMR documentation articles

Article Title Category Created on Latest activitysort icon Total views Views today
VO registration troubleshooting enmr.eu VO, grid, personnal certificate, Registration, web browser 2011-03-16 14:20 1 year 29 weeks ago 6,642 413
PDB tools to clean/manipulate PDB files before HADDOCKing docking, Haddock, HADDOCK, PDB Cleaner, PDB file 2013-03-20 03:36 3 years 9 weeks ago 10,610 487
Getting started with MARS MARS 2011-07-20 09:48 3 years 31 weeks ago 5,157 406
Getting started with CYANA CYANA 2011-07-20 09:32 3 years 31 weeks ago 8,138 508
SAMPLEX: unbiased definition of active residues for HADDOCK HADDOCK 2013-08-13 08:06 4 years 44 weeks ago 4,808 420
HADDOCK-SAXS-scriptorium HADDOCK 2013-08-01 12:27 4 years 46 weeks ago 4,708 478
Getting started with GROMACS GROMACS 2011-12-07 15:47 5 years 11 weeks ago 10,379 561
HADDOCK Scriptorium - Producing restraints for gapped structures Chain Break, CNS, docking, Gap, Haddock, HADDOCK, Python, TBL File 2013-03-17 15:32 5 years 13 weeks ago 4,760 436
HADDOCK scriptorium - chemical shift scoring analysis, chemical shifts, Haddock, HADDOCK, scoring 2012-06-06 13:20 5 years 17 weeks ago 9,197 719
jobs - user friendly utility to manage the users jobs gLite 2011-08-23 18:19 5 years 18 weeks ago 4,138 282
Useful interface predictors for HADDOCK Haddock, HADDOCK, interface predictors 2012-06-11 08:13 5 years 27 weeks ago 6,031 406
FCC Clustering clustering, contacts, HADDOCK, protein complex 2012-10-13 08:32 5 years 36 weeks ago 5,732 480
Getting started with CS-ROSETTA CS-ROSETTA 2011-07-20 09:36 6 years 1 week ago 8,200 521
HADDOCK scriptorium - geometrical properties of a molecule HADDOCK 2012-05-31 14:33 6 years 2 weeks ago 4,824 358
Getting started with FANDAS FANDAS 2012-05-31 11:54 6 years 3 weeks ago 5,727 518
Getting Started with CcpNmr Analysis CcpNmr Analysis 2012-03-06 15:24 6 years 6 weeks ago 9,981 793
About CcpNmr Analysis about, CcpNmr Analysis 2012-03-06 15:02 6 years 6 weeks ago 4,455 359
FANDAS web server documentation FANDAS 2012-04-25 09:28 6 years 8 weeks ago 4,331 307
Getting started with CcpNmr format converter FormatConverter 2011-07-20 11:14 6 years 11 weeks ago 7,956 500
About FormatConverter conversion, format, FormatConverter, NMR 2011-07-13 08:21 6 years 11 weeks ago 4,121 341
The CS-ROSETTA web server manual CS-ROSETTA 2012-03-06 13:32 6 years 15 weeks ago 5,567 431
3D-DART User Manual 3D-DART 2011-03-14 20:19 6 years 15 weeks ago 7,616 454
Getting started with CNS CNS 2012-03-06 13:28 6 years 15 weeks ago 5,188 406
Getting started with 3D-DART 3D-DART 2012-03-06 13:22 6 years 15 weeks ago 6,914 465
About CING CING 2011-03-07 15:42 6 years 16 weeks ago 3,905 285
Getting started with iCing CING 2012-02-29 18:03 6 years 16 weeks ago 9,843 774
Getting started with AMBER Amber 2011-07-20 11:17 6 years 16 weeks ago 6,885 428
CS23D documentation chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:43 6 years 16 weeks ago 3,616 342
About 3D-DART 3D-DART 2011-02-25 15:19 6 years 16 weeks ago 3,771 310
ResProx documentation equivalent resolution, resprox, ResProx 2012-02-27 21:45 6 years 16 weeks ago 5,223 381
About ResProx equivalent resolution, protein, ResProx, structure 2012-02-24 22:00 6 years 17 weeks ago 3,485 325
RCI documentation flexibility, protein, RCI, RCI 2012-02-24 00:04 6 years 17 weeks ago 3,516 278
About RCI (Random Coil Index) flexibility, protein, Random Coil Index, RCI, RCI 2012-02-23 23:54 6 years 17 weeks ago 3,737 318
GeNMR documentation generation, GeNMR, GeNMR, structure 2012-02-23 23:33 6 years 17 weeks ago 3,035 329
About GeNMR chemical shifts, GeNMR, GeNMR, NOEs, protein, structure 2012-02-23 23:13 6 years 17 weeks ago 4,414 342
About CS23D chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:16 6 years 17 weeks ago 3,374 272
eToken with Xen (grid admin) gLite, Xen etoken 2011-05-13 16:57 6 years 20 weeks ago 4,642 307
Automatic test of enmr.eu jobs on all supporting CEs. enmr.eu, gLite, grid, jobs, site admin, test 2012-02-02 12:39 6 years 20 weeks ago 4,275 341
About AMBER Amber, Force Fields, Molecular Dynamics, Refinement 2011-07-12 16:06 6 years 29 weeks ago 3,546 319
Automated grid submission and polling daemons About GRID technology, gLite 2011-11-02 10:14 6 years 33 weeks ago 7,291 509
perusal option: save your job output before reaching walltime gLite, gLite, jdl, perusal, walltime 2011-07-20 13:08 6 years 33 weeks ago 5,436 353
Usefull link for GRID related work (mainly for site admin) Grid Services, accounting, admin, grid, monitoring 2011-10-06 17:33 6 years 36 weeks ago 5,941 329
Things to do to "add" a new grid site admin Grid Services, site admin 2011-10-07 12:06 6 years 37 weeks ago 4,274 286
JobControl - utility to manage multi jobs submission (for site admin) gLite 2011-08-23 18:09 6 years 43 weeks ago 4,196 331
CheckGRID - Utility to test and publish GRID resources (for site admin) gLite 2011-08-23 17:51 6 years 43 weeks ago 4,050 261
The EGI services API wiki page Grid Services, documentation, EGI, gLite 2011-08-23 10:39 6 years 43 weeks ago 4,218 303
Grid deployment scripts (for site admin) deployment, gLite, gLite, site-admin, software 2011-08-02 11:12 6 years 46 weeks ago 4,179 281
About Xplor-NIH Molecular Dynamics, Monte Carlo, NMR restraints, structure calculation, Xplor-NIH 2011-07-15 07:51 6 years 48 weeks ago 3,740 274
Modelling of multisubunit complexes rigid body modelling, SASREF, Sasref 2011-07-22 12:59 6 years 48 weeks ago 5,573 262
Ab initio shape determination by simulated annealing using a multiphase dummy atom model ab initio, MONSA, Monsa 2011-07-22 12:55 6 years 48 weeks ago 3,808 241

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.

EGI-approved

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

West-Life