v1.0.2

Command line tool to generate Kripo (Key Representation of Interaction in POckets) fingerprints from Protein Data Bank files.
The fingerprints can be used to can be used to find proteins which can bind a fragment of a ligand or identify bioisosteric replacements.

• Workaround for limitation older atomium version in handling ligands with residue ID 0 (issue #2)

v1.0.1

Command line tool to generate Kripo (Key Representation of Interaction in POckets) fingerprints from Protein Data Bank files.
The fingerprints can be used to can be used to find proteins which can bind a fragment of a ligand.

• Include sub packages during install (#1)
• Pin atomium to compatible version (#1)

v1.0.0

Command line tool to generate Kripo (Key Representation of Interaction in POckets) fingerprints from Protein Data Bank files.
The fingerprints can be used to can be used to find proteins which can bind a fragment of a ligand.