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 562
rna_denovo 4595
snug_dock 1195
pka 810
peptiderive 4799
ligand_docking 10722
make_exemplar 243
tox_dock 220
rnp_ddg 23
stepwise 69
rna_redesign 76
docking 403
fixbb 1
docking2 10663
mp_lipid_acc 1730
symmetric_docking 1480
antibody 2108
farfar2 286

GrayLab.Jazz

Protocol jobs
supercharge 1420
rna_thread 1
rna_info 1
rna_denovo 435
snug_dock 831
pka 605
meta 3
ligand_docking 8588
tox_dock 101
symmetric_docking 14
docking 3424
renumber_pdb 1
vip 835
sequence_tolerance 1375
beta_peptide_design 34
docking2 4960
mp_lipid_acc 324
rnp_ddg 24
erraser 364
antibody 2484
ncbb_design 56
farfar2 125

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 2006
GrayLab.Jazz 2056
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 25,277 742,341 29.4 163 4,767.0
rna_denovo Feb 2012 5,129 211,165 41.2 21 1,792.8
erraser Oct 2012 392 730 1.9 6 23.7
beta_peptide_design Nov 2012 36 3 0.1 0 0.0
supercharge Nov 2012 2,199 581 0.3 39 3.5
antibody Dec 2012 7,955 4,153,015 522.1 95 61,924.3
ncbb_design Dec 2012 60 9,276 154.6 0 0.0
sequence_tolerance Jan 2013 1,440 99,881 69.4 22 1,088.6
vip Mar 2013 907 7,533 8.3 14 111.1
symmetric_docking Aug 2013 1,560 193,793 124.2 12 281.4
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,981 15,892 8.0 19 151.5
ligand_docking Jan 2014 21,088 520,167 24.7 169 4,682.3
peptiderive May 2015 5,358 732 0.1 71 19.3
make_exemplar Sep 2015 292 14 0.0 1 0.0
tox_dock May 2016 364 330,487 907.9 0 447.4
snug_dock May 2016 2,223 2,025,611 911.2 100 86,091.9
mp_lipid_acc Aug 2016 2,062 17 0.0 14 0.1
stepwise Dec 2017 69 6,874 99.6 0 0.1
farfar2 Sep 2018 467 51,533 110.3 55 8,129.1
rnp_ddg Oct 2018 47 1,702 36.2 0 39.9
rna_info Jan 2020 1 0 0.0 0 0.0
renumber_pdb Jan 2020 1 0 0.0 0 0.0
rna_thread Jan 2020 2 0 0.0 0 0.0
Total 78986 8,372,039 127.4 801 169,554.3


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):