This tool adds new records from a CSDB dump file to the database.
If you need to update existing records, re-initialize database and upload the whole corrected CSDB dump (may take several hours).
This tool adds data from a GTR dump file to the database. The CSDB data should have been already imported. Existing GTR data are overwritten.
This tool adds data from a conformation data directory to the database. The CSDB data should have been already imported. Existing conformation data are overwritten, however plot files remain intact.
Conformation data directory is prepared from MD trajectory files manually by confmap_trj_processor script. Location of this folder (usually jsmol/confmap_data/minima) is set in trajectory processor ini-file. It should contain processed trajectories in XML format (see format description), filenames being hashed from CSDB Linear codes, and MD simulation parameters. In parallel, corresponding JSON files (the same hash) for conformation data online visualization must be present in plot folder (usually jsmol/confmap_data). As soon as processed conformation data are ready, place them in conformation data and plot folders, and click [Import] to update the database.
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