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update readme
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rdk committed Oct 3, 2024
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Expand Up @@ -66,19 +66,20 @@ If you use P2Rank, please cite relevant papers:
Jendele L, Krivak R, Skoda P, Novotny M, Hoksza D. ***PrankWeb: a web server for ligand binding site prediction and visualization.*** Nucleic Acids Research, Volume 47, Issue W1, 02 July 2019, Pages W345-W349
* [Conference paper](https://doi.org/10.1007/978-3-319-21233-3_4) introducing P2Rank prediction algorithm
Krivak R, Hoksza D. ***P2RANK: Knowledge-Based Ligand Binding Site Prediction Using Aggregated Local Features.*** International Conference on Algorithms for Computational Biology 2015 Aug 4 (pp. 41-52). Springer
* [Research article](https://doi.org/10.1186/s13321-015-0059-5) about PRANK rescoring algorithm
* [Research article](https://doi.org/10.1186/s13321-015-0059-5) about PRANK rescoring algorithm (now included in P2Rank)
Krivak R, Hoksza D. ***Improving protein-ligand binding site prediction accuracy by classification of inner pocket points using local features.*** Journal of Cheminformatics. 2015 Dec.


Usage Examples
--------------

Following commands can be executed in the installation directory.
Following commands can be executed in the installation directory.

### Print help
### Help and version

~~~bash
prank help
prank help # print help for main commands and parameters
prank -v # print version and some system info
~~~

### Predict ligand binding sites (P2Rank algorithm)
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prank predict -c example.groovy -visualizations 0 -threads 8 test.ds # overrides defaults as well as values from example.groovy
~~~

P2Rank has numerous configurable parameters.
P2Rank has many configurable parameters.
To see the list of standard parameters look into `config/default.groovy` and other example config files in this directory.
To see the complete commented list of all (including undocumented)
parameters see [Params.groovy](https://github.com/rdk/p2rank/blob/develop/src/main/groovy/cz/siret/prank/program/params/Params.groovy) in the source code.
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