Registering a new structure
Registering single compounds
Registering compounds with salts
Preliminary step: Hydrochloric acid (HCl) is present in the Salt Dictionary with Id=1.
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2. Click on the "Add new"
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3. In the Search for salts/solvates field start typing the salt name
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4. Select Hydrochloride from the salt list.
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5. Type 1 for the salt multiplicity, then click on the Add button.
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6. As a result the salt will appear on the structure fused image |
In order to register the structure fill with data the mandatory fields (marked with yellow background), e.g. LnbRef, then click on the blue Register button on the top right side of the page.
Registering compounds with isotopes
Compounds with isotopes (by default) are registered as new versions of parent compounds that are neutralized and without isotopes.
Preliminary steps:
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Hydrochloric acid (HCl) is present in the Salt Dictionary with Id=1.
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Pyridine structure with 1xHCl is already registered
Steps for registering a structure with isotope:
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2. In the Atom properties window click on the padlock sign at the Isotope, then set the desired value. Click OK.
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3. Set anLnbRef, then click on the blue Register button on the top right side of the page. |
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4. In the Registration summary window a new version Id will be given under an existing parent, since the isotopic structure will be registered as a new version under an existing parent. |
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5. Click on the View Details option. The registered strcuture will be displayed on the Browse page within the tree representation.
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Registering multi-component compounds