Closed cbouy closed 3 years ago
[ ] Create a consensus bitstring when multiple references are given
[ ] Support PDB and PDBQT files for the protein
[ ] Support SDF, MOL, PDBQT files for the ligands
[ ] Create 2D ligand interaction diagrams
[ ] Add examples from the Astex diverse set (CCDC)
[ ] Create a consensus bitstring when multiple references are given
[ ] Support PDB and PDBQT files for the protein
[ ] Support SDF, MOL, PDBQT files for the ligands
[ ] Create 2D ligand interaction diagrams
[ ] Add examples from the Astex diverse set (CCDC)