Re: [BlueObelisk-discuss] Best wishes from the COD team!

2014-02-10 Thread Peter Murray-Rust
On Mon, Feb 10, 2014 at 11:37 AM, Saulius Gražulis grazu...@ibt.lt wrote: Dear colleagues, during the two very exciting weeks of hacking with Peter Murray-Rust, in Vilnius, he suggested that I join the Blue Obelisk community and the mailing list. And I awarded Saulius a Blue Obelisk in

[BlueObelisk-discuss] Presenting TCOD at the IUCr 23rd Congress?

2014-02-10 Thread Saulius Gražulis
Dear colleagues, as I am going to the 23rd Congress of IUCr this year, I though that this would be a good opportunity to present TCOD to crystallographic and chemical community there. Unfortunately, the deadline of abstract submission is tomorrow, 2014-02-11, so I need a short feedback from you

Re: [BlueObelisk-discuss] [TCOD] Presenting TCOD at the IUCr 23rd Congress?

2014-02-10 Thread Saulius Gražulis
Dear Stefaan, Dear Björkman, Dear Linas, On 02/10/2014 03:41 PM, Stefaan Cottenier wrote: Yes, I agree to be on the author list. Something as TCOD deserves a good try -- although I'm not fully convinced yet in which shape it needs to be in order to be realistic and useful. On 02/10/2014

Re: [BlueObelisk-discuss] Best wishes from the COD team!

2014-02-10 Thread Robert Hanson
Saulius, Welcome! Do you know about all the cool crystallographic capabilities of Jmol? Latest is incommensurately modulated structures. Let's talk! Bob Hanson On Mon, Feb 10, 2014 at 5:37 AM, Saulius Gražulis grazu...@ibt.lt wrote: Dear colleagues, during the two very exciting weeks of

Re: [BlueObelisk-discuss] Best wishes from the COD team!

2014-02-10 Thread Karol M. Langner
Hi everyone, On Feb 10 2014, Peter Murray-Rust wrote: On Mon, Feb 10, 2014 at 11:37 AM, Saulius Gražulis grazu...@ibt.lt wrote: Dear colleagues, during the two very exciting weeks of hacking with Peter Murray-Rust, in Vilnius, he suggested that I join the Blue Obelisk community and the

Re: [BlueObelisk-discuss] Best wishes from the COD team!

2014-02-10 Thread Peter Murray-Rust
On Mon, Feb 10, 2014 at 6:45 PM, Karol M. Langner karol.lang...@gmail.comwrote: Hi everyone, @Peter and others: does NWChem write CML? I was planning to do some work on a NWChem parser in cclib (which will export CML itself), but if NWChem already writes CML that would not be a priority.

Re: [BlueObelisk-discuss] Best wishes from the COD team!

2014-02-10 Thread Karol M. Langner
On Feb 10 2014, Peter Murray-Rust wrote: On Mon, Feb 10, 2014 at 6:45 PM, Karol M. Langner karol.lang...@gmail.comwrote: Hi everyone, @Peter and others: does NWChem write CML? I was planning to do some work on a NWChem parser in cclib (which will export CML itself), but if NWChem

Re: [BlueObelisk-discuss] Best wishes from the COD team!

2014-02-10 Thread Saulius Gražulis
On 02/10/2014 07:38 PM, Robert Hanson wrote: Do you know about all the cool crystallographic capabilities of Jmol? Yes, we do use Jmol extensively! Thanks for great software! Latest is incommensurately modulated structures. These I have not used yet. Very interesting! -- Dr. Saulius