ValidatorDB:UserManual

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ValidatorDB 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 ValidatorDB user manual, which contains all the information you need in order to make efficient use of ValidatorDB. Additional support is provided on the ValidatorDB web pages. When you first access the ValidatorDB page, you will find basic information in the Quick Help tab, and useful examples of 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.

First time user guide to ValidatorDB

If you are a first time user, we recommend that you go through the basic presentation specifically prepared to help you get oriented.


Introduction


Terminology

Principles


Database contents

  1. Incomplete structures
  2. Complete structures
    1. Wrong chirality
    2. Correct chirality
  3. Warnings
  4. Processing warnings

Database organization

  1. Synopsis page
    1. Search
    2. Overview
    3. Details by molecule
    4. Details by PDB entry
  2. Specifics page
    1. Overview
    2. Summary
    3. Details
    4. Single molecule report
    5. Processing warnings

Limitations


Case studies


Molecular browsers extension

  1. PyMOL
  2. Chimera

Technical details