*************
Frag PELE
*************

FragPELE (https://github.com/carlesperez94/frag_pele) is a Python package, developed at the Electronic and Atomic Protein Modelling group of the Barcelona Supercomputing Center, aimed at growing a fragment into a core while exploring the protein-ligand conformational space.


For more on the installation or usage of FragPELE please refer to https://carlesperez94.github.io/frag_pele/


Paper: https://pubs.acs.org/doi/10.1021/acs.jcim.9b00938