pharmai / plip

Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
http://plip.biotec.tu-dresden.de
GNU General Public License v2.0
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Calculate and report interactions for just one amino acid residue #138

Open cesaravila79 opened 1 year ago

cesaravila79 commented 1 year ago

I would like the possibility to get a report of the interactions of a single amino acid with all its surrounding atoms, either from the same or from a different chain. Perhaps this could be achieved by passing an option instructing PLIP to treat a given amino acid the same way as a ligand. BTW, great job. PLIP is my favorite software to analyze interactions in crystal structures.