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 75
rna_denovo 4256
snug_dock 467
pka 584
peptiderive 3265
ligand_docking 4077
make_exemplar 181
tox_dock 209
rnp_ddg 4
stepwise 56
rna_redesign 76
docking 403
fixbb 1
docking2 7615
mp_lipid_acc 1671
symmetric_docking 1203
antibody 1249
farfar2 19

GrayLab.Jazz

Protocol jobs
supercharge 1127
rna_denovo 435
snug_dock 341
pka 365
ligand_docking 2084
tox_dock 86
docking2 3468
symmetric_docking 14
docking 3424
vip 513
sequence_tolerance 1034
beta_peptide_design 27
meta 3
mp_lipid_acc 265
rnp_ddg 2
erraser 259
antibody 1790
ncbb_design 52
farfar2 1

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 1508
GrayLab.Jazz 1675
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 20,179 662,846 32.8 198 4,328.2
rna_denovo Feb 2012 4,785 195,613 40.9 90 1,102.8
erraser Oct 2012 283 435 1.5 5 13.0
beta_peptide_design Nov 2012 27 3 0.1 0 0.0
supercharge Nov 2012 1,382 436 0.3 27 14.2
antibody Dec 2012 6,314 3,195,112 506.0 99 51,872.3
ncbb_design Dec 2012 56 7,743 138.3 1 231.1
sequence_tolerance Jan 2013 1,082 79,174 73.2 24 2,649.3
vip Mar 2013 569 3,337 5.9 15 143.3
symmetric_docking Aug 2013 1,279 186,202 145.6 19 525.4
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,508 12,264 8.1 37 299.9
ligand_docking Jan 2014 7,836 289,605 37.0 372 7,888.8
peptiderive May 2015 3,786 485 0.1 93 6.4
make_exemplar Sep 2015 229 14 0.1 3 0.0
tox_dock May 2016 337 307,064 911.2 21 22,911.6
snug_dock May 2016 961 913,660 950.7 63 93,967.6
mp_lipid_acc Aug 2016 1,944 16 0.0 62 0.8
stepwise Dec 2017 56 4,607 82.3 0 46.5
farfar2 Sep 2018 20 1,030 51.5 3 171.6
rnp_ddg Oct 2018 6 2 0.4 1 0.4
Total 52715 5,860,339 142.6 1,133 186,173.4


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):