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 25 weeks ago 6,624 395
PDB tools to clean/manipulate PDB files before HADDOCKing docking, Haddock, HADDOCK, PDB Cleaner, PDB file 2013-03-20 03:36 3 years 5 weeks ago 10,573 450
Getting started with MARS MARS 2011-07-20 09:48 3 years 27 weeks ago 5,130 379
Getting started with CYANA CYANA 2011-07-20 09:32 3 years 27 weeks ago 8,106 476
SAMPLEX: unbiased definition of active residues for HADDOCK HADDOCK 2013-08-13 08:06 4 years 40 weeks ago 4,785 397
HADDOCK-SAXS-scriptorium HADDOCK 2013-08-01 12:27 4 years 42 weeks ago 4,686 456
Getting started with GROMACS GROMACS 2011-12-07 15:47 5 years 7 weeks ago 10,340 522
HADDOCK Scriptorium - Producing restraints for gapped structures Chain Break, CNS, docking, Gap, Haddock, HADDOCK, Python, TBL File 2013-03-17 15:32 5 years 9 weeks ago 4,727 403
HADDOCK scriptorium - chemical shift scoring analysis, chemical shifts, Haddock, HADDOCK, scoring 2012-06-06 13:20 5 years 12 weeks ago 9,155 677
jobs - user friendly utility to manage the users jobs gLite 2011-08-23 18:19 5 years 14 weeks ago 4,121 265
Useful interface predictors for HADDOCK Haddock, HADDOCK, interface predictors 2012-06-11 08:13 5 years 23 weeks ago 6,002 377
FCC Clustering clustering, contacts, HADDOCK, protein complex 2012-10-13 08:32 5 years 31 weeks ago 5,695 443
Getting started with CS-ROSETTA CS-ROSETTA 2011-07-20 09:36 5 years 48 weeks ago 8,170 491
HADDOCK scriptorium - geometrical properties of a molecule HADDOCK 2012-05-31 14:33 5 years 50 weeks ago 4,797 331
Getting started with FANDAS FANDAS 2012-05-31 11:54 5 years 51 weeks ago 5,699 490
Getting Started with CcpNmr Analysis CcpNmr Analysis 2012-03-06 15:24 6 years 2 weeks ago 9,926 738
About CcpNmr Analysis about, CcpNmr Analysis 2012-03-06 15:02 6 years 2 weeks ago 4,435 339
FANDAS web server documentation FANDAS 2012-04-25 09:28 6 years 4 weeks ago 4,311 287
Getting started with CcpNmr format converter FormatConverter 2011-07-20 11:14 6 years 6 weeks ago 7,926 470
About FormatConverter conversion, format, FormatConverter, NMR 2011-07-13 08:21 6 years 6 weeks ago 4,096 316
The CS-ROSETTA web server manual CS-ROSETTA 2012-03-06 13:32 6 years 10 weeks ago 5,543 407
3D-DART User Manual 3D-DART 2011-03-14 20:19 6 years 11 weeks ago 7,591 429
Getting started with CNS CNS 2012-03-06 13:28 6 years 11 weeks ago 5,164 382
Getting started with 3D-DART 3D-DART 2012-03-06 13:22 6 years 11 weeks ago 6,885 436
About CING CING 2011-03-07 15:42 6 years 11 weeks ago 3,888 268
Getting started with iCing CING 2012-02-29 18:03 6 years 12 weeks ago 9,787 718
Getting started with AMBER Amber 2011-07-20 11:17 6 years 12 weeks ago 6,860 403
CS23D documentation chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:43 6 years 12 weeks ago 3,603 329
About 3D-DART 3D-DART 2011-02-25 15:19 6 years 12 weeks ago 3,758 297
ResProx documentation equivalent resolution, resprox, ResProx 2012-02-27 21:45 6 years 12 weeks ago 5,198 356
About ResProx equivalent resolution, protein, ResProx, structure 2012-02-24 22:00 6 years 12 weeks ago 3,462 302
RCI documentation flexibility, protein, RCI, RCI 2012-02-24 00:04 6 years 12 weeks ago 3,497 259
About RCI (Random Coil Index) flexibility, protein, Random Coil Index, RCI, RCI 2012-02-23 23:54 6 years 12 weeks ago 3,717 298
GeNMR documentation generation, GeNMR, GeNMR, structure 2012-02-23 23:33 6 years 12 weeks ago 3,000 294
About GeNMR chemical shifts, GeNMR, GeNMR, NOEs, protein, structure 2012-02-23 23:13 6 years 12 weeks ago 4,386 314
About CS23D chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:16 6 years 12 weeks ago 3,355 253
eToken with Xen (grid admin) gLite, Xen etoken 2011-05-13 16:57 6 years 15 weeks ago 4,620 285
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 15 weeks ago 4,253 319
About AMBER Amber, Force Fields, Molecular Dynamics, Refinement 2011-07-12 16:06 6 years 25 weeks ago 3,527 300
Automated grid submission and polling daemons About GRID technology, gLite 2011-11-02 10:14 6 years 29 weeks ago 7,261 479
perusal option: save your job output before reaching walltime gLite, gLite, jdl, perusal, walltime 2011-07-20 13:08 6 years 29 weeks ago 5,409 326
Usefull link for GRID related work (mainly for site admin) Grid Services, accounting, admin, grid, monitoring 2011-10-06 17:33 6 years 32 weeks ago 5,919 307
Things to do to "add" a new grid site admin Grid Services, site admin 2011-10-07 12:06 6 years 32 weeks ago 4,252 264
JobControl - utility to manage multi jobs submission (for site admin) gLite 2011-08-23 18:09 6 years 39 weeks ago 4,172 307
CheckGRID - Utility to test and publish GRID resources (for site admin) gLite 2011-08-23 17:51 6 years 39 weeks ago 4,021 232
The EGI services API wiki page Grid Services, documentation, EGI, gLite 2011-08-23 10:39 6 years 39 weeks ago 4,192 277
Grid deployment scripts (for site admin) deployment, gLite, gLite, site-admin, software 2011-08-02 11:12 6 years 42 weeks ago 4,160 262
About Xplor-NIH Molecular Dynamics, Monte Carlo, NMR restraints, structure calculation, Xplor-NIH 2011-07-15 07:51 6 years 43 weeks ago 3,727 261
Modelling of multisubunit complexes rigid body modelling, SASREF, Sasref 2011-07-22 12:59 6 years 43 weeks ago 5,558 247
Ab initio shape determination by simulated annealing using a multiphase dummy atom model ab initio, MONSA, Monsa 2011-07-22 12:55 6 years 43 weeks ago 3,791 224

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