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 1 year 12 weeks ago 6,362 133
PDB tools to clean/manipulate PDB files before HADDOCKing docking, Haddock, HADDOCK, PDB Cleaner, PDB file 2013-03-20 03:36 2 years 44 weeks ago 10,274 151
Getting started with MARS MARS 2011-07-20 09:48 3 years 14 weeks ago 4,871 120
Getting started with CYANA CYANA 2011-07-20 09:32 3 years 14 weeks ago 7,790 160
SAMPLEX: unbiased definition of active residues for HADDOCK HADDOCK 2013-08-13 08:06 4 years 28 weeks ago 4,532 144
HADDOCK-SAXS-scriptorium HADDOCK 2013-08-01 12:27 4 years 29 weeks ago 4,375 145
Getting started with GROMACS GROMACS 2011-12-07 15:47 4 years 47 weeks ago 10,002 184
HADDOCK Scriptorium - Producing restraints for gapped structures Chain Break, CNS, docking, Gap, Haddock, HADDOCK, Python, TBL File 2013-03-17 15:32 4 years 49 weeks ago 4,462 138
HADDOCK scriptorium - chemical shift scoring analysis, chemical shifts, Haddock, HADDOCK, scoring 2012-06-06 13:20 5 years 3 days ago 8,761 283
jobs - user friendly utility to manage the users jobs gLite 2011-08-23 18:19 5 years 1 week ago 3,936 80
Useful interface predictors for HADDOCK Haddock, HADDOCK, interface predictors 2012-06-11 08:13 5 years 10 weeks ago 5,770 145
FCC Clustering clustering, contacts, HADDOCK, protein complex 2012-10-13 08:32 5 years 19 weeks ago 5,420 168
Getting started with CS-ROSETTA CS-ROSETTA 2011-07-20 09:36 5 years 36 weeks ago 7,844 165
HADDOCK scriptorium - geometrical properties of a molecule HADDOCK 2012-05-31 14:33 5 years 37 weeks ago 4,571 105
Getting started with FANDAS FANDAS 2012-05-31 11:54 5 years 38 weeks ago 5,379 170
Getting Started with CcpNmr Analysis CcpNmr Analysis 2012-03-06 15:24 5 years 41 weeks ago 9,453 265
About CcpNmr Analysis about, CcpNmr Analysis 2012-03-06 15:02 5 years 41 weeks ago 4,235 139
FANDAS web server documentation FANDAS 2012-04-25 09:28 5 years 43 weeks ago 4,120 96
Getting started with CcpNmr format converter FormatConverter 2011-07-20 11:14 5 years 46 weeks ago 7,628 172
About FormatConverter conversion, format, FormatConverter, NMR 2011-07-13 08:21 5 years 46 weeks ago 3,890 110
The CS-ROSETTA web server manual CS-ROSETTA 2012-03-06 13:32 5 years 50 weeks ago 5,303 167
3D-DART User Manual 3D-DART 2011-03-14 20:19 5 years 50 weeks ago 7,331 169
Getting started with CNS CNS 2012-03-06 13:28 5 years 50 weeks ago 4,911 129
Getting started with 3D-DART 3D-DART 2012-03-06 13:22 5 years 50 weeks ago 6,598 149
About CING CING 2011-03-07 15:42 5 years 51 weeks ago 3,713 93
Getting started with iCing CING 2012-02-29 18:03 5 years 51 weeks ago 9,293 224
Getting started with AMBER Amber 2011-07-20 11:17 5 years 51 weeks ago 6,592 135
CS23D documentation chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:43 5 years 51 weeks ago 3,382 108
About 3D-DART 3D-DART 2011-02-25 15:19 5 years 51 weeks ago 3,557 96
ResProx documentation equivalent resolution, resprox, ResProx 2012-02-27 21:45 5 years 52 weeks ago 4,962 120
About ResProx equivalent resolution, protein, ResProx, structure 2012-02-24 22:00 6 years 2 days ago 3,253 93
RCI documentation flexibility, protein, RCI, RCI 2012-02-24 00:04 6 years 3 days ago 3,322 84
About RCI (Random Coil Index) flexibility, protein, Random Coil Index, RCI, RCI 2012-02-23 23:54 6 years 3 days ago 3,509 90
GeNMR documentation generation, GeNMR, GeNMR, structure 2012-02-23 23:33 6 years 3 days ago 2,779 73
About GeNMR chemical shifts, GeNMR, GeNMR, NOEs, protein, structure 2012-02-23 23:13 6 years 3 days ago 4,178 106
About CS23D chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:16 6 years 3 days ago 3,183 81
eToken with Xen (grid admin) gLite, Xen etoken 2011-05-13 16:57 6 years 3 weeks ago 4,431 96
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 3 weeks ago 4,051 117
About AMBER Amber, Force Fields, Molecular Dynamics, Refinement 2011-07-12 16:06 6 years 12 weeks ago 3,330 103
Automated grid submission and polling daemons About GRID technology, gLite 2011-11-02 10:14 6 years 16 weeks ago 6,945 163
perusal option: save your job output before reaching walltime gLite, gLite, jdl, perusal, walltime 2011-07-20 13:08 6 years 16 weeks ago 5,181 98
Usefull link for GRID related work (mainly for site admin) Grid Services, accounting, admin, grid, monitoring 2011-10-06 17:33 6 years 19 weeks ago 5,716 104
Things to do to "add" a new grid site admin Grid Services, site admin 2011-10-07 12:06 6 years 20 weeks ago 4,075 87
JobControl - utility to manage multi jobs submission (for site admin) gLite 2011-08-23 18:09 6 years 26 weeks ago 3,952 87
CheckGRID - Utility to test and publish GRID resources (for site admin) gLite 2011-08-23 17:51 6 years 26 weeks ago 3,860 71
The EGI services API wiki page Grid Services, documentation, EGI, gLite 2011-08-23 10:39 6 years 26 weeks ago 4,018 103
Grid deployment scripts (for site admin) deployment, gLite, gLite, site-admin, software 2011-08-02 11:12 6 years 29 weeks ago 3,996 98
About Xplor-NIH Molecular Dynamics, Monte Carlo, NMR restraints, structure calculation, Xplor-NIH 2011-07-15 07:51 6 years 31 weeks ago 3,566 100
Modelling of multisubunit complexes rigid body modelling, SASREF, Sasref 2011-07-22 12:59 6 years 31 weeks ago 5,391 80
Ab initio shape determination by simulated annealing using a multiphase dummy atom model ab initio, MONSA, Monsa 2011-07-22 12:55 6 years 31 weeks ago 3,644 77

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