1. BIOXHIT Proposals…. awa@dl.ac.uk 21/11/2002

2. Martyn’s Original Summary “1. Crystallisation. Low-cost LIMS ("Mole") being developed. Biologists in SBL are gaining experience with Lisa, and will help to trial Mole. Mole could be distributed to external groups (under CCP4 banner?) and/or made available to synchrotron users? Although both commercial (Nautilus) and academic (Xtrack) LIMS are being developed within SPINE, there is still a niche for a lightweight LIMS compatible with the CCP4 suite.”

3. Comments explained….. “Low-cost LIMS ("Mole") being developed.” –There's nothing cheap about mole! “Biologists in SBL are gaining experience with Lisa, and will help to trial Mole.” –Mole is a test bed for development and training. Currently holds no Data but that’s the easy part! “Mole could be distributed to external groups (under CCP4 banner?) and/or made available to synchrotron users?” –In theory yes but I would need to spend time on the project to hinder/help Pete W. I have also suggested to Colin that it could be used as the DL PXWEB? Hopefully find out more on PXWEB at the ESRF.

4. Best point… “Although both commercial (Nautilus) and academic (Xtrack) LIMS are being developed within SPINE, there is still a niche for a lightweight LIMS compatible with the CCP4 suite.” Xtrack merged with Hal = HalX SPINE are not really developing a LIMS but a project tracker.

5. CCP4 and LIMS not LIMS and CCP4 “….a lightweight LIMS compatible with the CCP4 suite.” The work Peter B is proposing will ensure that CCP4i will be compatible with any LIMS. –Ensuring the project can still be tracked –Ensuring the data in CCP4i is available using the accepted data items/formats.

6. In addition…. Project management in CCP4i was designed with the assumption that this was the first place the ‘project’ existed electronically. –Maybe CCP4i could have an interface to get its project information from outside –Tools could be supplied to take information from e.g. HalX not only for project information but biological information.

7. I was bored in the car…

8. In addition….II CCP4i may not be the best place to store structure solution information long term. –Tools could be developed to interact directly with a database / LIMS –CCP4i could output information as XML or even SQL to go straight into a database.

9. Off the wall suggestion… Tasks could be developed within CCP4i to store information from crystallisation etc experiments… People develop interfaces in PHP because its easy 11133333 01333 3333 333 12333333 CCP4i Crystal Tracker Screen 1 0 crystal 1 ppt 2 needles 3 clear etc

10. LIMS development in BioXHit SPINE already has the remit of producing a project tracking system. What's missing from a Project Tracking system to become a LIMS is non results tracking – e.g. reagents, software versions Best idea is work on CCP4i –As well as changes to CCP4i for software solution – could also include interfaces for pre data collection stages…. –Definitely interfaces to project trackers and DB.