ROCKER

Easy ROC AUC analysis and visualization

ABOUT

ROCKER enables the user to automatically generate high quality ROC AUC images for publications. Image generation in ROCKER comes with many options, such as logarithmic vs. normal scale X-axis, calculation of AUC values with errors, and so on.

If you are interested to obtain Rocker for simple ROC AUC plotting and calculations, please, go to our download page.

If you wish to test Rocker through web-interface, please, press Start Rocker! -button.

LICENCE: Note that Rocker is published under MIT license.

CITING: If you publish figures and/or results from calculations, please, make sure you include the following reference:

Lätti S, Niinivehmas S, Pentikäinen OT. Rocker: Open source, easy-to-use tool for AUC and enrichment calculations and ROC visualization. Journal of Cheminformatics, 2016, 8:45.

Contact

Questions? Check out FAQ.

Contact us via the official Rocker Facebook site, or hit us with an e-mail: jyurocker@gmail.com

SUPPORT

SUPPORT

Frequently asked questions

Q1. Could you explain the reverse score option given in the webpage ROCKER?

A1. This refers to the numerical values given by your scoring/fittness function. Classical data for ligand binding energies (delta G/H) give values where more negative one is better (e.g. delta G -7.5kcal/mol is better than -6 kcal/mol) - such scoring is considered reverse. Many software tools give estimations for ligand fitness to the binding site, where the higher number is better.

Questions can be sent to e-mail: jyurocker@gmail.com or use Rocker Facebook site.

Examples

Here are six examples (same as in publication)

Note that the figures are prepared here with Mac-installation instead of RHEL7-Linux that was used in the manuscript.

  • A
  • rocker dude.txt -an CHEMBL -c 5 -s 5 5 -p
  • Fig1A.png
  • B
  • rocker dude.txt -an CHEMBL -c 5 -s 5 5 -lp 0.001 -p
  • Fig1B.png
  • C
  • rocker 2.txt 3.txt 5.txt -an CHEMBL -s 5 5 -li data1 data2 data3 random -l 0 -lp 0.001 -cl maroon teal cyan -p
  • Fig1C.png
  • D
  • rocker 2.txt 3.txt 5.txt -an CHEMBL -s 5 5 -li data1 data2 data3 random -l 0 -lp 0.001 -cl maroon teal cyan -st dotted dashed solid -la FalsePositive TruePositive -las 15 -ts 15 -p
  • Fig1D.png
  • E
  • rocker dude.txt -an CHEMBL -s 5 5 -c 5 -li mydata random -l 4 -les 15 -cl red -lw 4 -la FalsePositive TruePositive -las 15 -ts 15 -aw 2 -f "Liberation Serif" -p
  • Fig1E.png
  • F
  • rocker dude.txt -an CHEMBL -s 5 5 -c 5 -li mydata random -l 4 -les 15 -cl red -lw 4 -la FalsePositive TruePositive -las 15 -ts 15 -aw 2 -f "Liberation Serif" -no -a '\-0.08,\-0.05,0.0' -as 15 -kw "legend:{frameon:False}" -EFd 1 -EF 1 -BR 20 -p
  • Fig1F.png