Changes between Version 39 and Version 40 of WikiStart


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Timestamp:
10/27/20 15:24:28 (12 months ago)
Author:
mrathman
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  • WikiStart

    v39 v40  
    3636 
    3737== The Chemotype Editor == 
    38 The Chemotype Editor is a graphical user interface (GUI) application for creating and editing chemotypes. Substructures and patterns can be drawn using a molecular editor or imported from an external file. Atoms, bonds, molecular annotations, and properties can be added through the GUI. Edited chemotypes can be saved in the XML-based Chemical Subggraphs and Reactions Mark-up Language (CSRML) and used as alerts or fingerprints. 
     38The Chemotype Editor is a graphical user interface (GUI) application for creating and editing chemotypes. Substructures and patterns can be drawn using a molecular editor or imported from an external file. 
     39Atoms, bonds, molecular annotations, and properties can be added through the GUI. Edited chemotypes can be saved in the XML-based Chemical Subgraphs and Reactions Mark-up Language (CSRML) and used as alerts or fingerprints. 
     40 
    3941 
    4042=== Download the Chemotype Editor === 
     
    4345Please [[/login]] if you already have an account or [[/register]]. 
    4446 
    45 Please note: this implementation of the editor is preliminary.  It does not currently support reactions, physiochemical properties of atoms, bonds, and molecules, additional substructures exceptions, and inclusions.  Although the CSRML format can handle multiple chemotypes, the editor is limited to a single chemotype at a time. The editor can import SMARTS using copy & paste.  However, SMARTS recursive fragments and reactions are not supported.  
     47Please note, this implementation of the editor is preliminary. It does not currently support reactions, physicochemical properties of atoms, bonds, and molecules, additional substructures exceptions, and inclusions. Although the CSRML format can handle multiple chemotypes, the editor is limited to a single chemotype at a time. The editor can import SMARTS using copy & paste. However, SMARTS recursive fragments and reactions are not supported.  
     48  
    4649 
    4750== The CSRML Reference Implementation == 

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