Atom typing of molecules from database
This workflow loads molecules from a database. For each molecule the atom type gets perceived. The output of this workflow are a couple of text files. The frist text file contains all molecule id's which are loaded from the database. The second text file contains all molecules which had problems with the atom typing. This file contains the molecule id and the atom which caused the problem. The last output file, a pdf, contains all structures of the molecules which caused problems during the atom typing to visual inspect the molecules.
Run this Workflow in the Taverna Workbench...
Copy and paste this link into File > 'Open workflow location...'
[ More Info ]
Taverna is available from http://taverna.sourceforge.net/
If you are having problems downloading it in Taverna, you may need to provide your username and password in the URL so that Taverna can access the Workflow:
Replace http:// in the link above with http://yourusername:yourpassword@
Version 1 (of 1)
Log in to add Tags
Shared with Groups (1)
Log in to add to one of your Packs
In chronological order:
Other workflows that use similar services (0)
There are no workflows in myExperiment that use similar services to this Workflow.