Differences

This shows you the differences between two versions of the page.

--- indexpages [2012/10/11 21:51] – rkiss
+++ indexpages [2013/02/07 09:36] (current) – add link to struct level spec + a little explanation sanmark
@@ Line 1: / Line 1: @@
 ====== Molecule index pages ======
+{{:index1.png?700|}}
+Each entry in the mcule database has an index page. Index pages can be displayed by clicking on any mcule ID or 2D representation of a molecule. Each entry's index page has a unique URL, which can be shared.
-Each entry in the mcule database (link) has an index page. Index pages can be displayed by clicking on any mcule ID or 2D representation of a molecule. Each entry's index page has a unique URL, which can be shared.
 The index page is structured as follows: molecule representation (left-hand side), IDs (right-hand side), additional information (bottom).
-On the left-hand side, the 2D representation of the molecule is displayed by default. In the case of conformers, rotatable, 3D representation can be displayed by clicking on the “View in 3D” button on the upper right side of the molecule representation window.
-On the right-hand side, important molecule identifiers such as the mcule ID (or product ID), InChI, SMILES, Formula, and InChIKey are displayed. Under the mcule ID, you can find the entry level of the molecule. Please remember, that the entry level is also reflected in the mcule ID. The entry level can be changed between compounds, structures and conformers. For this, please click on the link on the right, e.g. “Show structure”. Under the identifiers, you can find buttons for asking a quote (“Quote”), adding the molecule to a collection (“Add”) and sharing the molecule with others (“Share”).
+===== Left-hand side =====
-The bottom part contains important information about the entry.
+The **2D representation** of the molecule is displayed by default. In the case of conformers, rotatable, **3D representation** can be displayed by clicking on the “View in 3D” button on the upper right side of the molecule representation window.
+===== Right-hand side =====
+Important **molecule identifiers** such as the mcule ID (or product ID), [[http://www.inchi-trust.org/inchi|InChI]], [[http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html|SMILES]], Formula, [[http://www.inchi-trust.org/inchi|InChIKey]] are displayed.
+Under the mcule ID, you can find the [[structurelevels|entry level]] of the molecule. Please remember, that the entry level is also reflected in the mcule ID. The entry level can be changed between //compounds// (tautomer independent level), //structures// (level of specific tautomer forms) and //conformers// (level of specific tautomer forms with 3D structure). For this, please click on the link on the right, e.g. “Show structure”.
+Under the identifiers, you can find buttons for asking a quote (**“Quote”**), adding the molecule to a collection (**“Add”**) and sharing the molecule with others (**“Share”**).
+===== Bottom part =====
+=== Components ===
 For multicomponent entries, you can find the individual components listed under the “Components” tab. If the type of the component (e.g. main component, counter ion, solvent) could be identified, it is also displayed under the individual components' mcule ID.
-Under the “Structural data” tab, the molecule can be downloaded in SDF, SMILES and InChI formats.
-Under the “Product availability” tab, information about the commercial or other availability of the entry can be found. All available products are listed together with the following information: “mcule product ID”: unique mcule product identifier
-“Supplier”: name of the chemical supplier selling the product
-“Catalog”: name of the chemical supplier's catalog that contains the product
-“Supplier ID”: ID used by the chemical supplier to identify the product
-“Purity”: minimum guaranteed purity of the product
-“Availability”: on stock amount (immediately available for purchase) of the product
-“Updated”: product availability information last updated
-In most of the cases, the “Availability” field is updated on-the-fly as the “Product availability” tab is opened on the index page.
+=== Structure data ===
-Under the “Properties” tab you can find the most important properties (physicochemical, topological, etc.) of the entry.
+Under the “Structural data” tab, the molecule can be downloaded in [[http://accelrys.com/products/informatics/cheminformatics/ctfile-formats/no-fee.php|SDF]], [[http://www.daylight.com/dayhtml/doc/theory/theory.smiles.html|SMILES]] and [[http://www.inchi-trust.org/inchi|InChI]] formats.
+=== Product availability ===
+Under the “Product availability” tab, information about the commercial or other availability of the entry can be found. All available products are listed together with the following information:
+**"mcule product ID"**: unique mcule product identifier
+**“Supplier”**: name of the chemical supplier selling the product
+**“Catalog”**: name of the chemical supplier's catalog that contains the product
+**“Supplier ID”**: ID used by the chemical supplier to identify the product
+**“Purity”**: minimum guaranteed purity of the product
+**“Availability”**: stock amount (immediately available for purchase) of the product
+**“Updated”**: product availability information last updated (in most of the cases, the “Availability” field is updated on-the-fly as the “Product availability” tab is opened on the index page)
+=== Properties ===
+Under the “mcule Properties” tab you can find the most important properties (physicochemical, topological, etc.) of the entry.