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
supercharge 563
rna_denovo 4632
snug_dock 1271
pka 838
peptiderive 4875
ligand_docking 10930
make_exemplar 254
tox_dock 224
rnp_ddg 25
stepwise 73
rna_redesign 76
docking 403
fixbb 1
docking2 10875
mp_lipid_acc 1736
symmetric_docking 1526
antibody 2266
farfar2 419

GrayLab.Jazz

Protocol jobs
supercharge 1430
rna_thread 1
rna_info 13
rna_denovo 435
snug_dock 890
auto_drrafter 4
ligand_docking 8745
tox_dock 102
docking2 5115
symmetric_docking 14
pka 632
docking 3424
renumber_pdb 1
vip 842
sequence_tolerance 1420
beta_peptide_design 37
meta 3
mp_lipid_acc 326
rnp_ddg 25
erraser 370
antibody 2576
ncbb_design 59
farfar2 220

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 2122
GrayLab.Jazz 2141
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 25,969 761,767 29.3 165 5,843.4
rna_denovo Feb 2012 5,162 211,411 41.0 19 175.4
erraser Oct 2012 398 743 1.9 4 22.1
beta_peptide_design Nov 2012 39 3 0.1 0 0.0
supercharge Nov 2012 2,212 583 0.3 27 2.9
antibody Dec 2012 8,246 4,357,635 528.5 110 69,569.2
ncbb_design Dec 2012 63 9,356 148.5 0 13.2
sequence_tolerance Jan 2013 1,498 102,875 68.7 22 1,004.7
vip Mar 2013 913 7,645 8.4 5 56.6
symmetric_docking Aug 2013 1,619 195,682 120.9 15 419.7
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 2,059 16,055 7.8 19 123.9
ligand_docking Jan 2014 21,446 531,008 24.8 191 5,038.0
peptiderive May 2015 5,467 736 0.1 61 19.1
make_exemplar Sep 2015 304 14 0.0 2 0.0
tox_dock May 2016 369 342,241 927.5 1 2,254.3
snug_dock May 2016 2,432 2,097,715 862.5 80 43,221.4
mp_lipid_acc Aug 2016 2,072 17 0.0 15 0.1
stepwise Dec 2017 74 6,874 92.9 0 0.0
farfar2 Sep 2018 732 278,236 380.1 88 45,894.9
rnp_ddg Oct 2018 53 1,803 34.0 0 21.8
rna_info Jan 2020 14 0 0.0 2 0.0
renumber_pdb Jan 2020 1 0 0.0 0 0.0
rna_thread Jan 2020 3 0 0.0 0 0.0
auto_drrafter Feb 2020 5 964 192.8 0 160.7
Total 81226 8,924,052 139.2 826 173,841.5


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):