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 117
supercharge 1669
rna_denovo 6128
snug_dock 3127
pka 1748
peptiderive 11561
ligand_docking 17736
make_exemplar 361
tox_dock 354
rnp_ddg 575
stepwise 143
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1875
symmetric_docking 2947
antibody 3669
farfar2 3954

GrayLab.Jazz

Protocol jobs
supercharge 2060
rna_thread 65
rna_info 292
rna_denovo 435
snug_dock 1876
auto_drrafter 21
ligand_docking 12098
tox_dock 156
docking2 6417
symmetric_docking 14
pka 1210
docking 3424
renumber_pdb 82
vip 1220
sequence_tolerance 2540
beta_peptide_design 56
meta 3
mp_lipid_acc 442
rnp_ddg 568
erraser 840
antibody 3418
ncbb_design 115
farfar2 2137

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 4382
GrayLab.Jazz 3701
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 6,821 250,816 36.8 29 1,158.1
erraser Oct 2012 933 2,227 2.4 5 15.7
beta_peptide_design Nov 2012 60 5 0.1 0 0.0
supercharge Nov 2012 4,026 1,119 0.3 33 2.3
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 2,721 155,695 57.2 25 972.8
vip Mar 2013 1,310 12,120 9.3 5 37.4
symmetric_docking Aug 2013 3,091 238,038 77.0 16 146.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,617 27,661 7.6 19 134.5
ligand_docking Jan 2014 31,985 1,305,033 40.8 181 2,955.6
peptiderive May 2015 12,420 1,540 0.1 180 11.4
make_exemplar Sep 2015 413 31 0.1 0 0.0
tox_dock May 2016 555 736,486 1,327.0 6 11,792.9
snug_dock May 2016 6,157 3,969,773 644.8 33 14,965.6
mp_lipid_acc Aug 2016 2,326 24 0.0 1 0.0
stepwise Dec 2017 145 6,924 47.8 0 0.0
farfar2 Sep 2018 6,545 13,627,623 2,082.1 118 263,200.2
rnp_ddg Oct 2018 1,150 25,316 22.0 1 50.1
rna_info Jan 2020 293 0 0.0 4 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 123 70,587 573.9 5 1,056.0
Total 125913 27,446,395 225.3 662 296,499.2


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):