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 59
rna_denovo 4249
snug_dock 449
pka 574
peptiderive 3178
ligand_docking 3168
make_exemplar 178
tox_dock 203
symmetric_docking 1181
rna_redesign 76
docking 403
fixbb 1
docking2 7562
mp_lipid_acc 1670
stepwise 56
antibody 1201
farfar2 14

GrayLab.Jazz

Protocol jobs
supercharge 1116
rna_denovo 435
snug_dock 323
pka 362
ligand_docking 1572
tox_dock 84
docking2 3433
symmetric_docking 14
docking 3424
vip 509
sequence_tolerance 1019
beta_peptide_design 27
meta 3
mp_lipid_acc 265
antibody 1763
ncbb_design 47
erraser 251

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 1484
GrayLab.Jazz 1661
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 20,091 660,905 32.9 236 4,762.4
rna_denovo Feb 2012 4,778 195,492 40.9 178 1,131.2
erraser Oct 2012 274 428 1.6 4 11.8
beta_peptide_design Nov 2012 27 3 0.1 0 0.0
supercharge Nov 2012 1,352 410 0.3 38 14.0
antibody Dec 2012 6,230 3,161,864 507.5 101 60,979.4
ncbb_design Dec 2012 51 6,536 128.2 0 29.9
sequence_tolerance Jan 2013 1,065 75,662 71.0 26 2,221.0
vip Mar 2013 565 3,308 5.9 19 178.7
symmetric_docking Aug 2013 1,257 185,738 147.8 17 478.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,495 12,094 8.1 38 301.1
ligand_docking Jan 2014 6,351 278,814 43.9 162 8,499.1
peptiderive May 2015 3,698 482 0.1 93 9.3
make_exemplar Sep 2015 226 14 0.1 2 0.0
tox_dock May 2016 329 304,712 926.2 24 22,634.7
snug_dock May 2016 916 871,732 951.7 58 87,015.5
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 15 724 48.3 2 120.7
Total 50795 5,764,229 150.3 1,061 188,434.7


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):