About ROSIE

ROSIE is a web front-end to the Rosetta 3.x software suite, a molecular modeling software package that provides experimentally tested and rapidly evolving tools for the 3D structure prediction and high-resolution design of proteins, nucleic acids, and a growing number of non-natural polymers.

ROSIE is an easy-to-use web interface for selected Rosetta protocols.

The ROSIE framework is developed by Sergey Lyskov at GrayLab at JHU and has been described in a paper in PLoS One. Apps are developed in various labs participating in the Rosetta Commons. Please see each app’s documentaion for details and contact information. Primary user support contact is through the Rosetta Forum. If you have a question or wish to report a problem with particular ROSIE app, please use the ROSIE sub forum For questions about a Rosetta protocol in general, please use Rosetta Application Forum.



Some ROSIE Statistics:

GrayLab.Rosetta

Protocol jobs
supercharge 60
rna_denovo 4254
snug_dock 451
pka 574
peptiderive 3207
ligand_docking 3507
make_exemplar 178
tox_dock 204
symmetric_docking 1181
rna_redesign 76
docking 403
fixbb 1
docking2 7580
mp_lipid_acc 1670
stepwise 56
antibody 1208
farfar2 16

GrayLab.Jazz

Protocol jobs
supercharge 1119
rna_denovo 435
snug_dock 323
pka 364
ligand_docking 1925
tox_dock 86
docking2 3452
symmetric_docking 14
docking 3424
vip 510
sequence_tolerance 1022
beta_peptide_design 27
meta 3
mp_lipid_acc 265
antibody 1766
ncbb_design 47
erraser 255

TACC.Stampede

Protocol jobs
fixbb 1
snug_dock 80
pka 533
peptiderive 368
ligand_docking 1397
make_exemplar 45
tox_dock 24
docking2 4740
antibody 2848
Back-end users
GrayLab.Rosetta 1489
GrayLab.Jazz 1668
TACC.Stampede 1113

App introduced total jobs accumulated usage
in CPU-h
average CPU-h
per job
<jobs/month>
6-month average
<CPU-h/month>
6-month average
docking Jan 2012 20,128 661,605 32.9 230 4,759.0
rna_denovo Feb 2012 4,783 195,581 40.9 139 1,118.4
erraser Oct 2012 279 431 1.5 4 12.3
beta_peptide_design Nov 2012 27 3 0.1 0 0.0
supercharge Nov 2012 1,356 411 0.3 35 13.7
antibody Dec 2012 6,243 3,167,893 507.4 97 60,719.8
ncbb_design Dec 2012 51 6,536 128.2 0 29.9
sequence_tolerance Jan 2013 1,068 75,948 71.1 26 2,231.7
vip Mar 2013 566 3,313 5.9 18 179.5
symmetric_docking Aug 2013 1,257 185,738 147.8 16 457.5
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,497 12,119 8.1 37 296.6
ligand_docking Jan 2014 7,060 279,695 39.6 267 8,233.7
peptiderive May 2015 3,727 482 0.1 94 9.3
make_exemplar Sep 2015 226 14 0.1 2 0.0
tox_dock May 2016 332 305,386 919.8 22 22,632.0
snug_dock May 2016 918 873,092 951.1 58 87,242.1
mp_lipid_acc Aug 2016 1,943 16 0.0 63 0.8
stepwise Dec 2017 56 4,607 82.3 0 46.5
farfar2 Sep 2018 16 725 45.3 2 120.8
Total 51609 5,774,284 149.6 1,110 188,103.5


Users:

Jobs:

Average waiting time in queue:

Jobs by Back-end:

Monthly CPU Usage (in CPU-hours):

CPU Demand (cumulative CPU-h averaged over 6 months):

Total CPU Usage by Back-end (in CPU-hours):

Total CPU Usage (in CPU-hours):