rdk / p2rank

P2Rank: Protein-ligand binding site prediction tool based on machine learning. Stand-alone command line program / Java library for predicting ligand binding pockets from protein structure.
https://rdk.github.io/p2rank/
MIT License
242 stars 34 forks source link

Allow to use conservation for a single protein prediction #11

Open skodapetr opened 4 years ago

skodapetr commented 4 years ago

Add arguments to allow utilization of conservation in a single protein prediction using command line. It would be also great to provide an example of the command/inputs/outputs of such run for integration purposes.