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
rna_redesign 76
docking 403
antibody 663
rna_denovo 2576
fixbb 1
tox_dock 18
snug_dock 239
pka 417
peptiderive 2474
symmetric_docking 1059
ligand_docking 2207
make_exemplar 157
mp_lipid_acc 504
docking2 6374
stepwise 23

GrayLab.Jazz

Protocol jobs
supercharge 940
rna_denovo 435
snug_dock 113
pka 246
ligand_docking 1067
tox_dock 18
docking2 2801
symmetric_docking 14
docking 3424
vip 392
sequence_tolerance 850
beta_peptide_design 25
meta 3
mp_lipid_acc 195
antibody 1510
ncbb_design 43
erraser 224

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 1225
GrayLab.Jazz 1481
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 18,242 620,645 34.0 306 4,861.6
rna_denovo Feb 2012 3,071 175,420 57.1 230 6,672.1
erraser Oct 2012 244 357 1.5 1 2.3
beta_peptide_design Nov 2012 25 2 0.1 1 0.0
supercharge Nov 2012 1,101 324 0.3 13 4.2
antibody Dec 2012 5,409 2,619,281 484.2 75 37,462.7
ncbb_design Dec 2012 47 6,159 131.0 0 86.2
sequence_tolerance Jan 2013 888 61,176 68.9 27 1,095.1
vip Mar 2013 436 2,154 4.9 4 46.2
symmetric_docking Aug 2013 1,128 182,264 161.6 14 551.3
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,213 9,897 8.2 28 196.7
ligand_docking Jan 2014 4,814 212,049 44.0 213 6,491.4
peptiderive May 2015 2,980 416 0.1 184 10.2
make_exemplar Sep 2015 205 14 0.1 8 0.0
tox_dock May 2016 62 124,884 2,014.3 3 6,327.3
snug_dock May 2016 474 286,159 603.7 23 17,186.4
mp_lipid_acc Aug 2016 707 6 0.0 96 0.8
stepwise Dec 2017 23 2,806 122.0 0 78.0
Total 41145 4,304,701 197.1 1,226 81,072.5


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):