From db63ba2711bbeb60ecf8be329a2dedcaf507b219 Mon Sep 17 00:00:00 2001 From: rdk Date: Fri, 4 Oct 2024 00:47:36 +0200 Subject: [PATCH] update readme --- README.md | 11 ++++++----- 1 file changed, 6 insertions(+), 5 deletions(-) diff --git a/README.md b/README.md index 424ac017..4ea7f8cc 100644 --- a/README.md +++ b/README.md @@ -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) @@ -130,7 +131,7 @@ prank predict -visualizations 0 -threads 8 test.ds # turn 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.