It seems there is an issue when reading dictionaries:
test.only("Test get_residue_names_with_no_dictionary", () => {
const coordMolNo_1 = molecules_container.read_pdb('./5fjj.pdb')
molecules_container.get_residue_names_with_no_dictionary(coordMolNo_1)
// NAG is printed among others...
// Dictionary downloaded from github monomer library
const fileContents_NAG = fs.readFileSync(path.join(__dirname, '..', 'test_data', 'NAG.cif'), { encoding: 'utf8', flag: 'r' })
molecules_container.read_dictionary_string(fileContents_NAG, coordMolNo_1)
molecules_container.get_residue_names_with_no_dictionary(coordMolNo_1)
// Bug -> NAG is printed again, despite having just read the dictionary...
})
This prevents some functionalities from working correctly, mainly contact dots. However other functions work despite this issue (refinement, and ligand SVGs). This only occurs when assignment of the dictionary is done to a specific molecule, if done to "any" molecule then things seem to work OK.
FilomenoSanchez
commented
6 days ago
It seems there is an issue when reading dictionaries:
This prevents some functionalities from working correctly, mainly contact dots. However other functions work despite this issue (refinement, and ligand SVGs). This only occurs when assignment of the dictionary is done to a specific molecule, if done to "any" molecule then things seem to work OK.