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
cov_pep_dock 34
supercharge 1312
rna_denovo 5444
snug_dock 2788
pka 1512
peptiderive 8896
ligand_docking 15189
make_exemplar 343
tox_dock 306
rnp_ddg 564
stepwise 117
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1851
symmetric_docking 2646
antibody 3669
farfar2 2900

GrayLab.Jazz

Protocol jobs
supercharge 1791
rna_thread 33
rna_info 163
rna_denovo 435
snug_dock 1543
auto_drrafter 16
ligand_docking 10436
tox_dock 125
docking2 6417
symmetric_docking 14
pka 1044
docking 3424
renumber_pdb 74
vip 1124
sequence_tolerance 2191
beta_peptide_design 48
meta 3
mp_lipid_acc 425
rnp_ddg 544
erraser 719
antibody 3418
ncbb_design 104
farfar2 1283

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 3828
GrayLab.Jazz 3283
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 29,911 917,243 30.7 0 0.0
rna_denovo Feb 2012 6,003 227,353 37.9 38 1,208.0
erraser Oct 2012 805 1,833 2.3 5 12.4
beta_peptide_design Nov 2012 52 4 0.1 0 0.0
supercharge Nov 2012 3,377 984 0.3 34 18.6
antibody Dec 2012 10,938 6,074,269 555.3 0 0.0
ncbb_design Dec 2012 113 17,295 153.1 0 4.9
sequence_tolerance Jan 2013 2,355 142,319 60.4 10 304.3
vip Mar 2013 1,208 11,385 9.4 3 34.8
symmetric_docking Aug 2013 2,787 231,999 83.2 33 927.0
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,182 25,201 7.9 14 133.8
ligand_docking Jan 2014 27,606 695,458 25.2 138 1,661.3
peptiderive May 2015 9,606 1,232 0.1 138 8.8
make_exemplar Sep 2015 395 31 0.1 1 0.0
tox_dock May 2016 476 565,590 1,188.2 1 2,534.6
snug_dock May 2016 5,481 3,558,620 649.3 49 57,175.5
mp_lipid_acc Aug 2016 2,285 23 0.0 3 0.0
stepwise Dec 2017 119 6,897 58.0 0 0.1
farfar2 Sep 2018 4,443 8,499,031 1,912.9 88 203,422.6
rnp_ddg Oct 2018 1,115 24,159 21.7 1 33.4
rna_info Jan 2020 164 0 0.0 5 0.0
renumber_pdb Jan 2020 74 0 0.0 0 0.0
rna_thread Jan 2020 37 0 0.0 0 0.0
auto_drrafter Feb 2020 16 3,883 242.7 0 22.5
cov_pep_dock Feb 2021 39 27,427 703.3 0 0.0
Total 112663 21,032,926 221.2 561 267,502.6


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):