PLBD (Protein Ligand Binding Database) table description XML file

PLBD (Protein Ligand Binding Database) table description XML file
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General
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The provided ZIP archive contains an XML file "main-database-description.xml" with the description of all tables (VIEWS) that are exposed publicly at the PLBD server (https://plbd.org/). In the XML file, all columns of the visible tables are described, specifying their SQL types, measurement units, semantics, calculation formulae, SQL statements that can be used to generate values in these columns, and publications of the formulae derivations.

The XML file conforms to the published XSD schema created for descriptions of relational databases for specifications of scientific measurement data. The XSD schema ("relational-database_v2.0.0-rc.18.xsd") and all included sub-schemas are provided in the same archive for convenience. All XSD schemas are validated against the "XMLSchema.xsd" schema from the W3C consortium.

The ZIP file contains the excerpt from the files hosted in the https://plbd.org/ at the moment of submission of the PLBD database in the Scientific Data journal, and is provided to conform the journal policies. The current data and schemas should be fetched from the published URIs:

    https://plbd.org/
    https://plbd.org/doc/db/schemas
    https://plbd.org/doc/xml/schemas

Software that is used to generate SQL schemas, RestfulDB metadata and the RestfulDB middleware that allows to publish the databases generated from the XML description on the Web are available at public Subversion repositories:

    svn://www.crystallography.net/solsa-database-scripts
    svn://saulius-grazulis.lt/restfuldb

Usage
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The unpacked ZIP file will create the "db/" directory with the tree layout given below. In addition to the database description file "main-database-description.xml", all XSD schemas necessary for validation of the XML file are provided. On a GNU/Linux operating system with a GNU Make package installed, the XML file validity can be checked by unpacking the ZIP file, entering the unpacked directory, and running 'make distclean; make'. For example, on a Linux Mint distribution, the following commands should work:

    unzip main-database-description.zip
    cd db/release/v0.10.0/tables/
    sh -x dependencies/Linuxmint-20.1/install.sh
    make distclean
    make

If necessary, additional packages can be installed using the 'install.sh' script in the 'dependencies/' subdirectory corresponding to your operating system. As of the moment of writing, Debian-10 and Linuxmint-20.1 OSes are supported out of the box; similar OSes might work with the same 'install.sh' scripts. The installation scripts require to run package installation command under system administrator privileges, but they use *only* the standard system package manager, thus they should not put your system at risk. For validation and syntax checking, the 'rxp' and 'xmllint' programs are used.

The log files provided in the "outputs/validation" subdirectory contain validation logs obtained on the system where the XML files were last checked and should indicate validity of the provided XML file against the references schemas.

Layout of the archived file tree
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    db/
    └── release
        └── v0.10.0
            └── tables
                ├── Makeconfig-validate-xml
                ├── Makefile
                ├── Makelocal-validate-xml
                ├── dependencies
                ├── main-database-description.xml
                ├── outputs
                └── schema