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Quantum Chemistry Knowledge Management System

Quantum Chemistry Knowledge Management System (QC-KMS) is a private user database management system for storage/retrieval/query quantum chemistry results.

Source: CSE-Online

Features

  1. Create/remove private databases on the user remote servers. These servers must have the database system such as Postgres or MySQL installed. Contact us for information on installing the database system on your servers or using our services.
  2. Share your databases with other CSE-Online users.
  3. Import records from Gaussian 98/03 output files into a specific database.
  4. Parse a number of selected chemical properties and save them in the database table for query and retrieval.
  5. Have a number of user-defined fields in the database table for users to use for their own purposes.
  6. Store the original file for retrieval.
  7. View results using different visualization tools.

QC-KMS Snapshot

-- ManoharNayak - 27 Jun 2006

  • QC-KMS Snapshot:
    qchemdb.jpg

  • View Molecule Details:
    qchem_viewpane.jpg
Topic attachments
I Attachment Action Size Date Who Comment
jpgjpg qchem_viewpane.jpg manage 115.8 K 30 Jul 2006 - 06:14 PriyaMahajan View Molecule Details
jpgjpg qchemdb.jpg manage 156.0 K 30 Jul 2006 - 06:13 PriyaMahajan QC-KMS Snapshot
Topic revision: r7 - 30 Jul 2006 - 06:14:46 - PriyaMahajan
 
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