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 26
supercharge 988
rna_denovo 5122
snug_dock 2321
pka 1340
peptiderive 7089
ligand_docking 13449
make_exemplar 325
tox_dock 273
rnp_ddg 516
stepwise 89
rna_redesign 76
docking 403
fixbb 1
docking2 13260
mp_lipid_acc 1817
symmetric_docking 2296
antibody 3574
farfar2 1651

GrayLab.Jazz

Protocol jobs
supercharge 1668
rna_thread 22
rna_info 91
rna_denovo 435
snug_dock 1384
auto_drrafter 14
ligand_docking 9861
tox_dock 121
docking2 6309
symmetric_docking 14
pka 964
docking 3424
renumber_pdb 55
vip 1041
sequence_tolerance 1940
beta_peptide_design 45
meta 3
mp_lipid_acc 391
rnp_ddg 439
erraser 657
antibody 3337
ncbb_design 94
farfar2 774

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 3353
GrayLab.Jazz 3048
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 29,705 911,227 30.7 189 7,222.9
rna_denovo Feb 2012 5,677 219,198 38.6 30 756.8
erraser Oct 2012 734 1,625 2.2 19 20.3
beta_peptide_design Nov 2012 47 4 0.1 0 0.0
supercharge Nov 2012 2,912 809 0.3 33 21.5
antibody Dec 2012 10,822 5,943,256 549.2 113 19,881.1
ncbb_design Dec 2012 103 11,184 108.6 2 202.8
sequence_tolerance Jan 2013 2,082 127,654 61.3 18 735.1
vip Mar 2013 1,121 10,209 9.1 11 154.5
symmetric_docking Aug 2013 2,409 218,763 90.8 27 664.0
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,926 23,196 7.9 38 306.4
ligand_docking Jan 2014 25,229 664,051 26.3 122 2,240.6
peptiderive May 2015 7,719 1,026 0.1 110 14.0
make_exemplar Sep 2015 376 31 0.1 1 0.0
tox_dock May 2016 439 478,240 1,089.4 0 1,305.6
snug_dock May 2016 4,795 2,982,715 622.0 49 22,983.4
mp_lipid_acc Aug 2016 2,217 23 0.0 1 0.0
stepwise Dec 2017 91 6,879 75.6 0 0.0
farfar2 Sep 2018 2,773 3,896,209 1,405.1 87 82,804.8
rnp_ddg Oct 2018 961 20,170 21.0 128 1,738.6
rna_info Jan 2020 92 0 0.0 2 0.0
renumber_pdb Jan 2020 55 0 0.0 2 0.0
rna_thread Jan 2020 26 0 0.0 0 0.0
auto_drrafter Feb 2020 14 3,748 267.7 0 0.0
cov_pep_dock Feb 2021 31 23,616 761.8 1 218.1
Total 103432 15,544,521 199.1 983 141,270.6


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):