XVTHOR - XView user interface to Thor

• The THOR program has been installed locally.
• A database has been installed and is accessible to the server.
• The THOR-server has been started.
• The client is permitted access by the THOR-server.
• Local environment variables have been defined (normally DY_ROOT and DY_LICENSEDATA.
• The Daylight Software License is valid for "thor".

Main Features:

• Lookup of full TDT data from a THOR database using a compound identifier
• Depict a file of SMILES and perform individual lookups in a database for each structure
• Edit a TDT and update a THOR database with the new information
• Modify display of TDT data for postscript printing

Basic Operation:

• Start xvthor: xvthor (for SGIs use xvthor4d)
•  Use mouse selections, menu selections, text entry in xvthor's window set

• Thor main window- enter a SMILES, NAME, or other identifier directly. Status information and a depiction are displayed
• TDT Display Window-displays the contents of the database for the designated structure
• GRINS Window-GRINS allows graphical input of a structure
• Structure List Window- display the contents of a SMILES file for graphic selection of a structure. Blow up one structure with the middle mouse button for closer examination
• SMILES File-Specify a SMILES file for a stored list of structures
• Open database-Opens a database by connecting with the THOR server

Example- Query medchem95 database for data associated with methanol
 
• Start xvthor-
% xvthor

 
 
 
• Opening a database-
 
 
A simple query -



 
• TDT Display-

 

Example-Updating a THOR database with xvthor

• Start xvthor, opening database in write mode, display TDT and select "Add"
 

 
• Use the mouse to select a location for the new dataitem,from mouse menu-button select the datatype to be added


 

• Switch to Modify mode
 
 
 
• Select the Remark dataitem and use the text editor window to enter new data. Select "Apply" and THOR database will be updated.