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This repository was archived by the owner on Feb 20, 2026. It is now read-only.
Copy file name to clipboardExpand all lines: doc/user-guide.rst
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@@ -435,7 +435,7 @@ Compounds can be imported from PubChem. From the Compounds page, click the "Impo
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You can specify a PubChem CID (a unique identifier for all compounds present in PubChem), or a CAS number (a unique identifier present for most compounds). Input the number (CID or CAS) and click Search. A preview of the data is displayed below. If that is the correct compound, click Import.
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Your newly imported compound is now visible in the table listing them all. Double-clik it to further edit its properties.
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Your newly imported compound is now visible in the table listing them all. Double-click it to further edit its properties.
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.. figure:: img/compounds-edit.png
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:align:center
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From this window, you can edit all the properties of the compound. Only the "Name" is a mandatory field, all other fields are optional.
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The safety section allows you to define health hazards, but also if it is a controlled substance such as a drug precursor, or nanomaterials.
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The safety section allows you to define health hazards associated with that compound, and also if it is a controlled substance such as a drug precursor, or nanomaterials.
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.. figure:: img/compounds-safety.png
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:align:center
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When you add a compound where the SMILES representation is defined, and if the instance is configured to use the Fingerprinting service, a fingerprint of the compound will be stored in the database, allowing the search for substructures.
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Chemical structure editor
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-------------------------
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Since version 5.2, a chemical structure editor is present in the Tools menu. It allows one to draw molecules and perform operation on them such as searching the compounds database for similar molecules, via a substructure search. This feature requires the compounds present in the common database to be associated with a fingerprint, which is the case if the fingerprinting service is active, and the compounds have a SMILES representation defined.
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.. figure:: img/compounds-editor.png
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:align:center
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:alt:compounds editor
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Using the editor to draw, import or export molecules
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OpenCloning
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===========
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Since version 5.2, eLabFTW integrates the tool OpenCloning, developed by Manuel Lera Ramirez.
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.. note:: To make this tool available in eLabFTW, a specific configuration is required during deployment!
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.. figure:: img/opencloning.png
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:align:center
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:alt:OpenCloning
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OpenCloning running inside eLabFTW
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A more complete documentation will be present somewhere, sometime. For now, you're on your own! ;)
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Settings page
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=============
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The Settins page is where you can adjust preferences for your account. You can access it by selecting "Settings" from the top right user menu.
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The Settings page is where you can adjust preferences for your account. You can access it by selecting "Settings" from the top right user menu.
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