[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.
More information about the Orechem
mailing list