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 6
supercharge 874
rna_denovo 4919
snug_dock 2163
pka 1236
peptiderive 6378
ligand_docking 13047
make_exemplar 317
tox_dock 266
rnp_ddg 83
stepwise 86
rna_redesign 76
docking 403
fixbb 1
docking2 12680
mp_lipid_acc 1809
symmetric_docking 2094
antibody 3214
farfar2 1362

GrayLab.Jazz

Protocol jobs
supercharge 1527
rna_thread 21
rna_info 50
rna_denovo 435
snug_dock 1216
auto_drrafter 8
ligand_docking 9440
tox_dock 115
docking2 5676
symmetric_docking 14
pka 791
docking 3424
renumber_pdb 41
vip 960
sequence_tolerance 1806
beta_peptide_design 44
meta 3
mp_lipid_acc 366
rnp_ddg 46
erraser 537
antibody 2942
ncbb_design 79
farfar2 503

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 3016
GrayLab.Jazz 2707
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 28,429 854,197 30.0 150 5,158.8
rna_denovo Feb 2012 5,456 213,851 39.2 15 206.7
erraser Oct 2012 594 1,499 2.5 2 5.3
beta_peptide_design Nov 2012 46 4 0.1 0 0.0
supercharge Nov 2012 2,645 669 0.3 13 4.5
antibody Dec 2012 10,183 5,405,798 530.9 67 37,784.1
ncbb_design Dec 2012 88 9,968 113.3 0 0.0
sequence_tolerance Jan 2013 1,947 120,658 62.0 16 726.2
vip Mar 2013 1,043 8,968 8.6 4 73.5
symmetric_docking Aug 2013 2,205 212,593 96.4 32 1,348.8
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,607 20,830 8.0 23 157.0
ligand_docking Jan 2014 24,373 629,823 25.8 175 11,542.2
peptiderive May 2015 6,988 918 0.1 76 9.0
make_exemplar Sep 2015 368 31 0.1 3 3.3
tox_dock May 2016 426 457,793 1,074.6 3 4,153.1
snug_dock May 2016 4,437 2,842,622 640.7 56 18,264.9
mp_lipid_acc Aug 2016 2,184 23 0.0 6 0.8
stepwise Dec 2017 87 6,878 79.1 0 0.0
farfar2 Sep 2018 1,982 2,786,735 1,406.0 74 95,815.3
rnp_ddg Oct 2018 132 4,318 32.7 3 110.5
rna_info Jan 2020 51 0 0.0 1 0.0
renumber_pdb Jan 2020 41 0 0.0 2 0.0
rna_thread Jan 2020 25 0 0.0 1 0.0
auto_drrafter Feb 2020 8 2,485 310.6 0 114.2
cov_pep_dock Feb 2021 6 6,176 1,029.4 0 0.0
Total 96427 13,587,526 211.5 722 175,478.2


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):