A publication can be considered preliminary (very raw data perhaps) or draft
(not fully reviewed) or final. This status can be changed (edited) at any later time.
Visibility
• Private
• Protected
• Public.
Depending upon the desires of the authors, a publication can be set to private
which means only the submitting author with a password can see the publication.
Alternatively, a public publication can be seen by anyone with access to the portal.
Finally, an intermediate visibility is available that is termed “protected”. A protected publication requires a key (similar to a password) that an author can pass to a
collaborator so that they can see an author’s publication.
Category
Finally, it is possible to categorize a publication from one of the areas of chemistry
below.
• Analytical Chemistry
• Biochemistry
• Computational Chemistry
• Inorganic Chemistry
• Materials Chemistry
• Material Science
• Molecular Chemistry
• Nanotechnology
• Neurochemistry
• Nuclear Chemistry
• Organic Chemistry
• Other
• Petro Chemistry
• Physical Chemistry
• Polymer Chemistry
• Synthetic Chemistry
• Theoretical Chemistry.
2.2.2 Molecular System
The molecularSystem section of a CSX file is shown in Fig. 4.
A molecularSystem is a collection of molecules. Each molecule is a collection of
possibly residues (monomers) or perhaps just atoms. The intermediate level of
A Portal for Quantum Chemistry Data …
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