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 121
supercharge 1699
rna_denovo 6391
snug_dock 3162
pka 1765
peptiderive 11868
ligand_docking 17872
make_exemplar 363
tox_dock 355
rnp_ddg 583
stepwise 143
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1884
symmetric_docking 2952
antibody 3669
farfar2 4141

GrayLab.Jazz

Protocol jobs
supercharge 2081
rna_thread 65
rna_info 300
rna_denovo 435
snug_dock 1936
auto_drrafter 21
ligand_docking 12296
tox_dock 161
docking2 6417
symmetric_docking 14
pka 1245
docking 3424
renumber_pdb 82
vip 1223
sequence_tolerance 2560
beta_peptide_design 57
meta 3
mp_lipid_acc 445
rnp_ddg 580
erraser 867
antibody 3418
ncbb_design 115
farfar2 2333

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 4441
GrayLab.Jazz 3753
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 7,101 259,497 36.5 71 2,497.1
erraser Oct 2012 962 2,307 2.4 8 27.6
beta_peptide_design Nov 2012 61 5 0.1 0 0.0
supercharge Nov 2012 4,077 1,131 0.3 35 3.8
antibody Dec 2012 10,938 6,074,269 555.3 0 0.0
ncbb_design Dec 2012 124 19,240 155.2 0 0.1
sequence_tolerance Jan 2013 2,740 157,121 57.3 12 633.6
vip Mar 2013 1,313 12,152 9.3 2 18.3
symmetric_docking Aug 2013 3,097 238,093 76.9 14 120.6
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,669 27,872 7.6 22 138.6
ligand_docking Jan 2014 32,325 1,307,224 40.4 172 2,126.4
peptiderive May 2015 12,775 1,561 0.1 200 12.7
make_exemplar Sep 2015 415 31 0.1 0 0.0
tox_dock May 2016 561 747,955 1,333.3 7 13,026.3
snug_dock May 2016 6,252 3,980,705 636.7 36 6,941.9
mp_lipid_acc Aug 2016 2,339 24 0.0 2 0.0
stepwise Dec 2017 145 6,924 47.8 0 0.0
farfar2 Sep 2018 6,992 14,393,123 2,058.5 135 288,723.3
rnp_ddg Oct 2018 1,174 26,768 22.8 4 292.0
rna_info Jan 2020 301 0 0.0 3 0.0
renumber_pdb Jan 2020 82 0 0.0 0 0.0
rna_thread Jan 2020 69 0 0.0 1 0.0
auto_drrafter Feb 2020 22 3,935 178.8 0 0.2
cov_pep_dock Feb 2021 128 73,547 574.6 5 1,266.1
Total 127649 28,251,415 224.4 729 315,828.5


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):