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 309
rna_denovo 4334
snug_dock 589
pka 650
peptiderive 3780
ligand_docking 8310
make_exemplar 205
tox_dock 216
rnp_ddg 9
stepwise 60
rna_redesign 76
docking 403
fixbb 1
docking2 8181
mp_lipid_acc 1679
symmetric_docking 1270
antibody 1485
farfar2 35

GrayLab.Jazz

Protocol jobs
supercharge 1294
rna_denovo 435
snug_dock 441
pka 449
ligand_docking 6869
tox_dock 93
docking2 3948
symmetric_docking 14
docking 3424
vip 530
sequence_tolerance 1088
beta_peptide_design 28
meta 3
mp_lipid_acc 269
rnp_ddg 8
erraser 295
antibody 1980
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 1656
GrayLab.Jazz 1774
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 21,325 680,773 31.9 203 3,604.1
rna_denovo Feb 2012 4,863 196,860 40.5 16 279.3
erraser Oct 2012 320 541 1.7 7 27.0
beta_peptide_design Nov 2012 28 3 0.1 0 0.0
supercharge Nov 2012 1,797 531 0.3 73 20.8
antibody Dec 2012 6,760 3,533,888 522.8 95 65,659.2
ncbb_design Dec 2012 60 9,276 154.6 1 456.9
sequence_tolerance Jan 2013 1,134 82,452 72.7 12 1,279.9
vip Mar 2013 586 3,419 5.8 5 41.8
symmetric_docking Aug 2013 1,347 188,410 139.9 15 448.3
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,659 13,500 8.1 35 293.6
ligand_docking Jan 2014 18,128 343,858 19.0 1,760 11,792.9
peptiderive May 2015 4,312 516 0.1 108 6.7
make_exemplar Sep 2015 253 14 0.1 5 0.0
tox_dock May 2016 351 322,587 919.1 6 3,684.0
snug_dock May 2016 1,179 1,125,725 954.8 61 63,840.8
mp_lipid_acc Aug 2016 1,956 17 0.0 2 0.0
stepwise Dec 2017 60 6,863 114.4 0 62.7
farfar2 Sep 2018 42 1,219 29.0 7 203.2
rnp_ddg Oct 2018 17 561 33.0 2 93.6
Total 66253 6,511,704 145.6 2,413 151,794.9


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):