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 28
supercharge 1009
rna_denovo 5152
snug_dock 2357
pka 1378
peptiderive 7637
ligand_docking 13723
make_exemplar 330
tox_dock 290
rnp_ddg 547
stepwise 92
rna_redesign 76
docking 403
fixbb 1
docking2 13361
mp_lipid_acc 1827
symmetric_docking 2372
antibody 3669
farfar2 1860

GrayLab.Jazz

Protocol jobs
supercharge 1723
rna_thread 22
rna_info 102
rna_denovo 435
snug_dock 1417
auto_drrafter 14
ligand_docking 10116
tox_dock 122
docking2 6417
symmetric_docking 14
pka 1003
docking 3424
renumber_pdb 65
vip 1082
sequence_tolerance 1988
beta_peptide_design 45
meta 3
mp_lipid_acc 418
rnp_ddg 542
erraser 671
antibody 3418
ncbb_design 95
farfar2 948

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 3446
GrayLab.Jazz 3132
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 30.7 118 4,949.6
rna_denovo Feb 2012 5,707 219,359 38.4 9 80.7
erraser Oct 2012 751 1,661 2.2 7 14.2
beta_peptide_design Nov 2012 48 4 0.1 0 0.0
supercharge Nov 2012 2,991 818 0.3 17 2.5
antibody Dec 2012 10,938 6,074,269 555.3 73 17,082.9
ncbb_design Dec 2012 104 11,257 108.2 2 106.5
sequence_tolerance Jan 2013 2,145 131,744 61.4 12 790.4
vip Mar 2013 1,163 10,893 9.4 11 192.2
symmetric_docking Aug 2013 2,504 222,658 88.9 20 922.6
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 3,004 23,974 8.0 18 184.3
ligand_docking Jan 2014 25,783 666,676 25.9 131 1,377.8
peptiderive May 2015 8,306 1,140 0.1 132 25.8
make_exemplar Sep 2015 381 31 0.1 0 0.0
tox_dock May 2016 457 526,747 1,152.6 3 8,223.8
snug_dock May 2016 4,874 3,005,754 616.7 32 13,300.7
mp_lipid_acc Aug 2016 2,255 23 0.0 6 0.0
stepwise Dec 2017 94 6,891 73.3 0 0.3
farfar2 Sep 2018 3,196 4,642,433 1,452.6 108 57,720.8
rnp_ddg Oct 2018 1,095 23,419 21.4 96 1,009.5
rna_info Jan 2020 103 0 0.0 2 0.0
renumber_pdb Jan 2020 65 0 0.0 1 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 33 23,616 715.6 0 0.0
Total 106024 16,515,047 201.5 798 105,984.7


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):