Re: [BlueObelisk-discuss] Questions and answers for compchem problems (?Shapado)

2011-06-05 Thread Noel O'Boyle
On 5 June 2011 13:56, Peter Murray-Rust wrote: > > > On Sun, Jun 5, 2011 at 12:41 PM, Rajarshi Guha > wrote: >> >> On Sun, Jun 5, 2011 at 6:24 AM, Peter Murray-Rust wrote: >> >> > Proposal >> > === >> > We create a Shapado for computational chemistry (QC, MD and similar) >> > which >> > answ

Re: [BlueObelisk-discuss] Questions and answers for compchem problems (?Shapado)

2011-06-05 Thread Peter Murray-Rust
On Sun, Jun 5, 2011 at 12:41 PM, Rajarshi Guha wrote: > On Sun, Jun 5, 2011 at 6:24 AM, Peter Murray-Rust wrote: > > > Proposal > > === > > We create a Shapado for computational chemistry (QC, MD and similar) > which > > answers any questions (not just those on Open Source). [I am assuming >

Re: [BlueObelisk-discuss] Questions and answers for compchem problems (?Shapado)

2011-06-05 Thread Rajarshi Guha
On Sun, Jun 5, 2011 at 6:24 AM, Peter Murray-Rust wrote: > Proposal > === > We create a Shapado for computational chemistry (QC, MD and similar) which > answers any questions (not just those on Open Source). [I am assuming this > does not already exist]. The Openness comes from the Open discu

[BlueObelisk-discuss] Questions and answers for compchem problems (?Shapado)

2011-06-05 Thread Peter Murray-Rust
**Copied to both Blue Obelisk and Quixote lists. please be careful in replying to both and please keep to topic ** Background = The Quixote project (http://quixote.wikispot.org/) is an Open Source/Data project to create and capture compchem calculations in semantic form and make them avail