A worldwide e-Infrastructure for NMR and structural biology

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 51 weeks 6 hours ago 6,078 1
PDB tools to clean/manipulate PDB files before HADDOCKing docking, Haddock, HADDOCK, PDB Cleaner, PDB file 2013-03-20 03:36 2 years 31 weeks ago 9,984 4
Getting started with MARS MARS 2011-07-20 09:48 3 years 1 week ago 4,645 1
Getting started with CYANA CYANA 2011-07-20 09:32 3 years 1 week ago 7,455 11
SAMPLEX: unbiased definition of active residues for HADDOCK HADDOCK 2013-08-13 08:06 4 years 14 weeks ago 4,258 1
HADDOCK-SAXS-scriptorium HADDOCK 2013-08-01 12:27 4 years 16 weeks ago 4,084 2
Getting started with GROMACS GROMACS 2011-12-07 15:47 4 years 33 weeks ago 9,638 1
HADDOCK Scriptorium - Producing restraints for gapped structures Chain Break, CNS, docking, Gap, Haddock, HADDOCK, Python, TBL File 2013-03-17 15:32 4 years 35 weeks ago 4,213
HADDOCK scriptorium - chemical shift scoring analysis, chemical shifts, Haddock, HADDOCK, scoring 2012-06-06 13:20 4 years 38 weeks ago 8,183 2
jobs - user friendly utility to manage the users jobs gLite 2011-08-23 18:19 4 years 40 weeks ago 3,716
Useful interface predictors for HADDOCK Haddock, HADDOCK, interface predictors 2012-06-11 08:13 4 years 49 weeks ago 5,497
FCC Clustering clustering, contacts, HADDOCK, protein complex 2012-10-13 08:32 5 years 5 weeks ago 5,056 5
Getting started with CS-ROSETTA CS-ROSETTA 2011-07-20 09:36 5 years 22 weeks ago 7,503 4
HADDOCK scriptorium - geometrical properties of a molecule HADDOCK 2012-05-31 14:33 5 years 24 weeks ago 4,359 1
Getting started with FANDAS FANDAS 2012-05-31 11:54 5 years 24 weeks ago 5,053 1
Getting Started with CcpNmr Analysis CcpNmr Analysis 2012-03-06 15:24 5 years 28 weeks ago 8,922 1
About CcpNmr Analysis about, CcpNmr Analysis 2012-03-06 15:02 5 years 28 weeks ago 3,978 1
FANDAS web server documentation FANDAS 2012-04-25 09:28 5 years 30 weeks ago 3,910 3
Getting started with CcpNmr format converter FormatConverter 2011-07-20 11:14 5 years 32 weeks ago 7,297 2
About FormatConverter conversion, format, FormatConverter, NMR 2011-07-13 08:21 5 years 32 weeks ago 3,641 2
The CS-ROSETTA web server manual CS-ROSETTA 2012-03-06 13:32 5 years 36 weeks ago 4,942 1
3D-DART User Manual 3D-DART 2011-03-14 20:19 5 years 37 weeks ago 6,952
Getting started with CNS CNS 2012-03-06 13:28 5 years 37 weeks ago 4,689
Getting started with 3D-DART 3D-DART 2012-03-06 13:22 5 years 37 weeks ago 6,285 2
About CING CING 2011-03-07 15:42 5 years 37 weeks ago 3,532 4
Getting started with iCing CING 2012-02-29 18:03 5 years 38 weeks ago 8,852 2
Getting started with AMBER Amber 2011-07-20 11:17 5 years 38 weeks ago 6,325 6
CS23D documentation chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:43 5 years 38 weeks ago 3,154 1
About 3D-DART 3D-DART 2011-02-25 15:19 5 years 38 weeks ago 3,349 4
ResProx documentation equivalent resolution, resprox, ResProx 2012-02-27 21:45 5 years 38 weeks ago 4,677 3
About ResProx equivalent resolution, protein, ResProx, structure 2012-02-24 22:00 5 years 38 weeks ago 3,056
RCI documentation flexibility, protein, RCI, RCI 2012-02-24 00:04 5 years 38 weeks ago 3,140 4
About RCI (Random Coil Index) flexibility, protein, Random Coil Index, RCI, RCI 2012-02-23 23:54 5 years 38 weeks ago 3,301 1
GeNMR documentation generation, GeNMR, GeNMR, structure 2012-02-23 23:33 5 years 38 weeks ago 2,578 2
About GeNMR chemical shifts, GeNMR, GeNMR, NOEs, protein, structure 2012-02-23 23:13 5 years 38 weeks ago 3,939
About CS23D chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:16 5 years 38 weeks ago 3,000
eToken with Xen (grid admin) gLite, Xen etoken 2011-05-13 16:57 5 years 41 weeks ago 4,231 2
Automatic test of enmr.eu jobs on all supporting CEs. enmr.eu, gLite, grid, jobs, site admin, test 2012-02-02 12:39 5 years 41 weeks ago 3,802 1
About AMBER Amber, Force Fields, Molecular Dynamics, Refinement 2011-07-12 16:06 5 years 51 weeks ago 3,129 1
Automated grid submission and polling daemons About GRID technology, gLite 2011-11-02 10:14 6 years 2 weeks ago 6,618 2
perusal option: save your job output before reaching walltime gLite, gLite, jdl, perusal, walltime 2011-07-20 13:08 6 years 2 weeks ago 4,957 1
Usefull link for GRID related work (mainly for site admin) Grid Services, accounting, admin, grid, monitoring 2011-10-06 17:33 6 years 5 weeks ago 5,482 1
Things to do to "add" a new grid site admin Grid Services, site admin 2011-10-07 12:06 6 years 6 weeks ago 3,874 2
JobControl - utility to manage multi jobs submission (for site admin) gLite 2011-08-23 18:09 6 years 12 weeks ago 3,765 3
CheckGRID - Utility to test and publish GRID resources (for site admin) gLite 2011-08-23 17:51 6 years 12 weeks ago 3,673
The EGI services API wiki page Grid Services, documentation, EGI, gLite 2011-08-23 10:39 6 years 13 weeks ago 3,819 1
Grid deployment scripts (for site admin) deployment, gLite, gLite, site-admin, software 2011-08-02 11:12 6 years 16 weeks ago 3,751 1
About Xplor-NIH Molecular Dynamics, Monte Carlo, NMR restraints, structure calculation, Xplor-NIH 2011-07-15 07:51 6 years 17 weeks ago 3,365
Modelling of multisubunit complexes rigid body modelling, SASREF, Sasref 2011-07-22 12:59 6 years 17 weeks ago 5,230
Ab initio shape determination by simulated annealing using a multiphase dummy atom model ab initio, MONSA, Monsa 2011-07-22 12:55 6 years 17 weeks ago 3,474 1

Cite WeNMR/WestLife

 
Usage of the WeNMR/WestLife portals should be acknowledged in any publication:
 
"The FP7 WeNMR (project# 261572) and H2020 West-Life (project# 675858) European e-Infrastructure projects are acknowledged for the use of their web portals, which make use of the EGI infrastructure and DIRAC4EGI service with the dedicated support of CESNET-MetaCloud, INFN-PADOVA, NCG-INGRID-PT, RAL-LCG2, 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, South Africa, Malaysia, 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