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 303
rna_denovo 4315
snug_dock 559
pka 620
peptiderive 3577
ligand_docking 7743
make_exemplar 201
tox_dock 213
rnp_ddg 9
stepwise 58
rna_redesign 76
docking 403
fixbb 1
docking2 7967
mp_lipid_acc 1678
symmetric_docking 1245
antibody 1424
farfar2 27

GrayLab.Jazz

Protocol jobs
supercharge 1280
rna_denovo 435
snug_dock 407
pka 424
ligand_docking 6476
tox_dock 92
docking2 3731
symmetric_docking 14
docking 3424
vip 525
sequence_tolerance 1075
beta_peptide_design 27
meta 3
mp_lipid_acc 269
rnp_ddg 8
erraser 286
antibody 1920
ncbb_design 56
farfar2 2

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 1624
GrayLab.Jazz 1750
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 20,797 673,028 32.4 175 2,913.0
rna_denovo Feb 2012 4,845 195,965 40.4 22 222.3
erraser Oct 2012 310 527 1.7 7 25.4
beta_peptide_design Nov 2012 27 3 0.1 0 0.0
supercharge Nov 2012 1,777 525 0.3 72 20.2
antibody Dec 2012 6,626 3,433,595 518.2 97 57,593.7
ncbb_design Dec 2012 60 9,276 154.6 1 456.9
sequence_tolerance Jan 2013 1,121 81,981 73.1 14 1,476.2
vip Mar 2013 581 3,395 5.8 6 57.2
symmetric_docking Aug 2013 1,322 187,587 141.9 15 385.1
rna_redesign Oct 2013 76 689 9.1 0 0.0
pka Jan 2014 1,605 13,140 8.2 34 269.9
ligand_docking Jan 2014 15,874 337,580 21.3 1,635 10,908.0
peptiderive May 2015 4,100 507 0.1 106 6.2
make_exemplar Sep 2015 249 14 0.1 5 0.0
tox_dock May 2016 347 321,252 925.8 8 5,701.1
snug_dock May 2016 1,111 1,068,728 962.0 78 95,070.2
mp_lipid_acc Aug 2016 1,955 17 0.0 3 0.0
stepwise Dec 2017 58 4,607 79.4 0 0.0
farfar2 Sep 2018 29 1,045 36.0 4 174.1
rnp_ddg Oct 2018 17 561 33.0 2 93.6
Total 62887 6,334,022 144.9 2,284 175,373.1


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):