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 8 weeks ago 6,269 40
PDB tools to clean/manipulate PDB files before HADDOCKing docking, Haddock, HADDOCK, PDB Cleaner, PDB file 2013-03-20 03:36 2 years 40 weeks ago 10,166 43
Getting started with MARS MARS 2011-07-20 09:48 3 years 10 weeks ago 4,782 31
Getting started with CYANA CYANA 2011-07-20 09:32 3 years 10 weeks ago 7,674 44
SAMPLEX: unbiased definition of active residues for HADDOCK HADDOCK 2013-08-13 08:06 4 years 23 weeks ago 4,437 49
HADDOCK-SAXS-scriptorium HADDOCK 2013-08-01 12:27 4 years 25 weeks ago 4,271 41
Getting started with GROMACS GROMACS 2011-12-07 15:47 4 years 42 weeks ago 9,874 56
HADDOCK Scriptorium - Producing restraints for gapped structures Chain Break, CNS, docking, Gap, Haddock, HADDOCK, Python, TBL File 2013-03-17 15:32 4 years 44 weeks ago 4,371 47
HADDOCK scriptorium - chemical shift scoring analysis, chemical shifts, Haddock, HADDOCK, scoring 2012-06-06 13:20 4 years 48 weeks ago 8,571 93
jobs - user friendly utility to manage the users jobs gLite 2011-08-23 18:19 4 years 49 weeks ago 3,871 15
Useful interface predictors for HADDOCK Haddock, HADDOCK, interface predictors 2012-06-11 08:13 5 years 6 weeks ago 5,675 50
FCC Clustering clustering, contacts, HADDOCK, protein complex 2012-10-13 08:32 5 years 14 weeks ago 5,301 49
Getting started with CS-ROSETTA CS-ROSETTA 2011-07-20 09:36 5 years 31 weeks ago 7,726 47
HADDOCK scriptorium - geometrical properties of a molecule HADDOCK 2012-05-31 14:33 5 years 33 weeks ago 4,501 35
Getting started with FANDAS FANDAS 2012-05-31 11:54 5 years 34 weeks ago 5,255 46
Getting Started with CcpNmr Analysis CcpNmr Analysis 2012-03-06 15:24 5 years 37 weeks ago 9,286 98
About CcpNmr Analysis about, CcpNmr Analysis 2012-03-06 15:02 5 years 37 weeks ago 4,137 41
FANDAS web server documentation FANDAS 2012-04-25 09:28 5 years 39 weeks ago 4,053 29
Getting started with CcpNmr format converter FormatConverter 2011-07-20 11:14 5 years 42 weeks ago 7,512 56
About FormatConverter conversion, format, FormatConverter, NMR 2011-07-13 08:21 5 years 42 weeks ago 3,820 40
The CS-ROSETTA web server manual CS-ROSETTA 2012-03-06 13:32 5 years 46 weeks ago 5,203 67
3D-DART User Manual 3D-DART 2011-03-14 20:19 5 years 46 weeks ago 7,231 69
Getting started with CNS CNS 2012-03-06 13:28 5 years 46 weeks ago 4,813 31
Getting started with 3D-DART 3D-DART 2012-03-06 13:22 5 years 46 weeks ago 6,499 50
About CING CING 2011-03-07 15:42 5 years 47 weeks ago 3,641 21
Getting started with iCing CING 2012-02-29 18:03 5 years 47 weeks ago 9,144 75
Getting started with AMBER Amber 2011-07-20 11:17 5 years 47 weeks ago 6,494 37
CS23D documentation chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:43 5 years 47 weeks ago 3,310 36
About 3D-DART 3D-DART 2011-02-25 15:19 5 years 47 weeks ago 3,490 29
ResProx documentation equivalent resolution, resprox, ResProx 2012-02-27 21:45 5 years 47 weeks ago 4,887 45
About ResProx equivalent resolution, protein, ResProx, structure 2012-02-24 22:00 5 years 47 weeks ago 3,182 22
RCI documentation flexibility, protein, RCI, RCI 2012-02-24 00:04 5 years 47 weeks ago 3,270 32
About RCI (Random Coil Index) flexibility, protein, Random Coil Index, RCI, RCI 2012-02-23 23:54 5 years 47 weeks ago 3,436 17
GeNMR documentation generation, GeNMR, GeNMR, structure 2012-02-23 23:33 5 years 47 weeks ago 2,728 22
About GeNMR chemical shifts, GeNMR, GeNMR, NOEs, protein, structure 2012-02-23 23:13 5 years 47 weeks ago 4,098 26
About CS23D chemical shift, CS23D, CS23D, protein, structure 2012-02-23 22:16 5 years 47 weeks ago 3,125 23
eToken with Xen (grid admin) gLite, Xen etoken 2011-05-13 16:57 5 years 50 weeks ago 4,364 29
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 51 weeks ago 3,968 34
About AMBER Amber, Force Fields, Molecular Dynamics, Refinement 2011-07-12 16:06 6 years 8 weeks ago 3,254 27
Automated grid submission and polling daemons About GRID technology, gLite 2011-11-02 10:14 6 years 12 weeks ago 6,835 53
perusal option: save your job output before reaching walltime gLite, gLite, jdl, perusal, walltime 2011-07-20 13:08 6 years 12 weeks ago 5,111 28
Usefull link for GRID related work (mainly for site admin) Grid Services, accounting, admin, grid, monitoring 2011-10-06 17:33 6 years 15 weeks ago 5,644 32
Things to do to "add" a new grid site admin Grid Services, site admin 2011-10-07 12:06 6 years 15 weeks ago 4,012 24
JobControl - utility to manage multi jobs submission (for site admin) gLite 2011-08-23 18:09 6 years 22 weeks ago 3,891 26
CheckGRID - Utility to test and publish GRID resources (for site admin) gLite 2011-08-23 17:51 6 years 22 weeks ago 3,810 21
The EGI services API wiki page Grid Services, documentation, EGI, gLite 2011-08-23 10:39 6 years 22 weeks ago 3,945 30
Grid deployment scripts (for site admin) deployment, gLite, gLite, site-admin, software 2011-08-02 11:12 6 years 25 weeks ago 3,931 33
About Xplor-NIH Molecular Dynamics, Monte Carlo, NMR restraints, structure calculation, Xplor-NIH 2011-07-15 07:51 6 years 26 weeks ago 3,500 34
Modelling of multisubunit complexes rigid body modelling, SASREF, Sasref 2011-07-22 12:59 6 years 26 weeks ago 5,335 24
Ab initio shape determination by simulated annealing using a multiphase dummy atom model ab initio, MONSA, Monsa 2011-07-22 12:55 6 years 26 weeks ago 3,588 21

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