[Orechem] Cambridge Software and software for Redmond meeting

Peter Murray-Rust pm286 at cam.ac.uk
Fri Mar 6 03:52:13 EST 2009


I have posted an overview page on our software at:

http://services.nsdl.org/trac/oreChem/wiki/CambridgeSoftware

We shall be bringing at least this to the meeting and hope that 
collaborators will come with platforms on which it can be installed. Our 
intention is to give collaborators enough instruction that ther can have 
a system which will convert legacy chemistry files into CML and thence 
to RDF. The basic requirement is a Java 1.6 installation, preferably SDK 
not JRE, SVN, and maven/Eclipse if we need to make changes. In 
production mode it shuld be possible to run these as mindless jars.

I would see this as a minimal requirement for any software in the 
project based on Java.

I would welcome indications of what systems others - e.g. Pythonistas - 
would wish to have on community platforms. There will be a limit to the 
diversity we can all support.

We clearly also need to thinks about basic RDF tools and should start 
discussing these.

I think it will be useful to have a package which contains all the 
agreed systems, along with examples files and basic docco, so that we 
can all be clear we are working in the same environment.

There are some tools which are out of scope for the complete project - 
nfor example the CambridgePSU collaboration on converting PDF2CML does 
not require every to have the converters at this stage - they are fairly 
  hairy.




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