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 4281
snug_dock 512
pka 589
peptiderive 3407
ligand_docking 4484
make_exemplar 191
tox_dock 209
rnp_ddg 5
stepwise 56
rna_redesign 76
docking 403
fixbb 1
docking2 7761
mp_lipid_acc 1676
symmetric_docking 1225
antibody 1334
farfar2 26

GrayLab.Jazz

Protocol jobs
supercharge 1203
rna_denovo 435
snug_dock 379
pka 377
ligand_docking 2152
tox_dock 86
docking2 3543
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 1826
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 1560
GrayLab.Jazz 1710
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 20,413 665,886 32.6 187 3,004.1
rna_denovo Feb 2012 4,810 195,680 40.7 32 299.2
erraser Oct 2012 308 527 1.7 8 26.4
beta_peptide_design Nov 2012 27 3 0.1 0 0.0
supercharge Nov 2012 1,536 460 0.3 42 11.2
antibody Dec 2012 6,437 3,289,370 511.0 98 55,894.5
ncbb_design Dec 2012 59 9,253 156.8 1 453.1
sequence_tolerance Jan 2013 1,102 80,730 73.3 24 2,737.3
vip Mar 2013 572 3,368 5.9 13 99.6
symmetric_docking Aug 2013 1,302 187,279 143.8 21 619.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,525 12,297 8.1 31 195.9
ligand_docking Jan 2014 8,473 311,325 36.7 427 6,884.6
peptiderive May 2015 3,928 503 0.1 97 7.2
make_exemplar Sep 2015 239 14 0.1 4 0.0
tox_dock May 2016 338 307,064 908.5 18 15,505.9
snug_dock May 2016 1,041 1,022,858 982.6 75 110,469.9
mp_lipid_acc Aug 2016 1,949 17 0.0 3 0.0
stepwise Dec 2017 56 4,607 82.3 0 0.1
farfar2 Sep 2018 27 1,040 38.5 4 173.3
rnp_ddg Oct 2018 11 153 13.9 1 25.5
Total 54229 6,093,121 145.0 1,086 196,407.6


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):