ChargeCalculator:UserManual
AtomicChargeCalculator, or ACC is a database of precomputed validation results for all ligands and non-standard residues in the Protein Data Bank (PDB). The molecules deemed relevant for validation are all ligands and non-standard residues with 7 or more heavy atoms. Standard nucleotides, standard amino acids and selenomethionine are not covered. The models from the wwPDB Chemical Component Dictionary (wwPDB CCD) are used as reference structures during validation. The database is updated on a weekly basis.
Below you can find the ACC user manual, which contains all the information you need in order to make efficient use of ACC. Additional support is provided on the ACC web pages. When you first access the ACC page, you will find basic information in the Quick Help tab, and useful examples fo database snippets in the Samples tab. Moreover, various interactive guides are accessible at all times by a green button at the top right corner of some tabs. We recommend that you make use of these as often as you need.
If you are a first time user, we recommend that you go through the basic presentation specifically prepared to help you get oriented.