Hi, On 17/03/2011 10:59, Jun Zhao wrote: > Hi Alex, > > Thanks for sending me the link. However, the page [1] 1contains only > broken links:( > > [1] > http://www.taverna.org.uk/introduction/taverna-in-use/chemistry/chemical-informatics-and-cyberinfrastructure-collaboratory/ > > The broken links appear to point to http://www.chembiogrid.org/ - there seems to be a problem with their Web site. > > > From my understanding, the users have really strong provenance and > data management requirements. They want everything to be recorded, > including the code and all the data recorded. We already have a way of recording workflow provenance in Taverna 2.2, and, with the latest patch, you can switch to using the mySQL database instead of the built-in one called Derby.
The users can browse the intermediate values and go back to inspect older workflow runs. > They want all these data to be presented in a friendly way, and always > the flexibility to execute complex queries. At the moment, there is no UI to query the provenance database nor it is easy to query it directly without in-depth understanding of how it is organised (and it is very complex). We are planning some improvements in that respect in Taverna 2.3, such as exporting provenance data as OPM and Janus support, which will make it easier for people to manipulate their provenance data and export if from the Taverna's provenance database for inspection outside of Taverna. What we would like to know is what scale are the workflows your users will likely run? Do they deal with large data or large numbers of files? What are the workflows supposed to do? > > Nothing new nor particularly specific to chemistry, apart from some > details. OK, if you need some help about Taverna in chemistry - the best person to contact is Peter Li <[email protected]>. > > cheers, > > Jun > Cheers, Alex > > On 14/03/11 12:44, Alex Nenadic wrote: >> Hi Jun, >> >> This is a page from our Web site that mentions the use of Taverna in the >> domain of chemistry: >> http://www.taverna.org.uk/introduction/taverna-in-use/chemistry/ >> >> If anyone is using Taverna for something that is not mentioned on the >> page - we'd like to know as well. >> >> Regards, >> Alex >> >> >> On 14/03/2011 09:55, Jun Zhao wrote: >>> Hello, >>> >>> I have recently been approached by request for a workflow system geared >>> towards material science/chemistry. I have not yet met the user until >>> this Thursday. I do know Taverna just released the CDK plugin. But I >>> guess the user seems to be interested in a lot of crystal structure >>> analysis. Has Taverna been used for such use cases? >>> >>> cheers, >>> >>> Jun >> > ------------------------------------------------------------------------------ Colocation vs. Managed Hosting A question and answer guide to determining the best fit for your organization - today and in the future. http://p.sf.net/sfu/internap-sfd2d _______________________________________________ taverna-users mailing list [email protected] [email protected] Web site: http://www.taverna.org.uk Mailing lists: http://www.taverna.org.uk/about/contact-us/
