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 145
rna_denovo 4280
snug_dock 503
pka 588
peptiderive 3358
ligand_docking 4361
make_exemplar 186
tox_dock 209
rnp_ddg 5
stepwise 56
rna_redesign 76
docking 403
fixbb 1
docking2 7712
mp_lipid_acc 1675
symmetric_docking 1225
antibody 1311
farfar2 22

GrayLab.Jazz

Protocol jobs
supercharge 1203
rna_denovo 435
snug_dock 376
pka 377
ligand_docking 2147
tox_dock 86
docking2 3538
symmetric_docking 14
docking 3424
vip 516
sequence_tolerance 1055
beta_peptide_design 27
meta 3
mp_lipid_acc 265
rnp_ddg 6
erraser 284
antibody 1822
ncbb_design 55
farfar2 1

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 1549
GrayLab.Jazz 1709
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 20,351 664,886 32.7 181 2,911.9
rna_denovo Feb 2012 4,809 195,680 40.7 34 439.0
erraser Oct 2012 308 527 1.7 8 26.6
beta_peptide_design Nov 2012 27 3 0.1 0 0.0
supercharge Nov 2012 1,536 460 0.3 46 11.2
antibody Dec 2012 6,413 3,270,526 510.0 96 54,530.0
ncbb_design Dec 2012 59 9,253 156.8 1 453.1
sequence_tolerance Jan 2013 1,101 80,730 73.3 25 2,741.8
vip Mar 2013 572 3,368 5.9 15 110.4
symmetric_docking Aug 2013 1,302 187,279 143.8 21 622.9
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,524 12,297 8.1 31 204.0
ligand_docking Jan 2014 8,142 310,134 38.1 414 6,696.0
peptiderive May 2015 3,882 495 0.1 89 6.1
make_exemplar Sep 2015 234 14 0.1 3 0.0
tox_dock May 2016 337 307,064 911.2 19 16,275.6
snug_dock May 2016 1,029 1,003,197 974.9 74 107,982.1
mp_lipid_acc Aug 2016 1,949 16 0.0 3 0.0
stepwise Dec 2017 56 4,607 82.3 0 11.5
farfar2 Sep 2018 23 1,038 45.1 3 173.0
rnp_ddg Oct 2018 11 153 13.9 1 25.5
Total 53741 6,052,417 145.1 1,064 193,220.8


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):