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 313
rna_denovo 4338
snug_dock 609
pka 662
peptiderive 3925
ligand_docking 9240
make_exemplar 207
tox_dock 216
rnp_ddg 9
stepwise 61
rna_redesign 76
docking 403
fixbb 1
docking2 8370
mp_lipid_acc 1679
symmetric_docking 1273
antibody 1562
farfar2 38

GrayLab.Jazz

Protocol jobs
supercharge 1295
rna_denovo 435
snug_dock 472
pka 473
ligand_docking 7796
tox_dock 93
docking2 4204
symmetric_docking 14
docking 3424
vip 530
sequence_tolerance 1110
beta_peptide_design 32
meta 3
mp_lipid_acc 270
rnp_ddg 8
erraser 298
antibody 2075
ncbb_design 56
farfar2 7

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 1684
GrayLab.Jazz 1810
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 21,788 686,075 31.5 263 4,193.5
rna_denovo Feb 2012 4,867 196,867 40.4 14 229.2
erraser Oct 2012 324 548 1.7 7 19.9
beta_peptide_design Nov 2012 32 3 0.1 0 0.1
supercharge Nov 2012 1,802 532 0.3 72 20.2
antibody Dec 2012 6,936 3,595,308 518.4 112 71,943.5
ncbb_design Dec 2012 60 9,276 154.6 1 456.7
sequence_tolerance Jan 2013 1,156 84,201 72.8 15 1,416.3
vip Mar 2013 586 3,419 5.8 3 18.5
symmetric_docking Aug 2013 1,351 188,448 139.5 15 451.6
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,696 13,677 8.1 33 263.9
ligand_docking Jan 2014 18,720 389,680 20.8 2,049 18,458.1
peptiderive May 2015 4,467 528 0.1 124 7.6
make_exemplar Sep 2015 255 14 0.1 4 0.0
tox_dock May 2016 351 322,587 919.1 3 2,979.1
snug_dock May 2016 1,230 1,149,402 934.5 51 46,052.3
mp_lipid_acc Aug 2016 1,957 17 0.0 2 0.0
stepwise Dec 2017 61 6,864 112.5 0 62.7
farfar2 Sep 2018 45 1,294 28.8 5 94.9
rnp_ddg Oct 2018 17 561 33.0 2 93.6
Total 67777 6,649,991 144.3 2,775 146,761.9


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):