Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Radovan Cerny
Ludwig, defending the ideals is the best thing one can do in his life. With the pragmatic view, you propose, we would stay till nowadays "on the trees eating bananas". Radovan Ludwig Keller a écrit: Armel: as in the past such debates are mute and go nowhere; these days, fame and fortunes

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Alan Hewat
>"Stellar example", wow. Well. an American wrote that :-) You and I would be more modest Armel :-) >...such debates are mute and go nowhere; Hmm. That's a moot point, but let's meet half way; I agree that in such debates it may be better to remain mute. Alan. Alan Hewat, ILL Grenoble, FRANCE

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Favre-Nicolin Vincent
On mercredi 7 Juillet 2004 08:28, Dr. Holger Putz wrote: > > The algorithm is in the literature, so why prevent > > the implementation of it in software? > > It is true, the algorithm is in the literature; unfortunately, the exact > form of the potential and especially its parameters have not been

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Dr. Holger Putz
> (i) if the parameters are not just a few numbers derived from the database, > but are a significant part of the database (like a list of all interatomic > distances in the database) > (ii) if part of the study was directly paid by the CCDC > But if neither (i) or (ii) are true, i.e. there are ju

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Favre-Nicolin Vincent
On jeudi 8 Juillet 2004 10:37, Dr. Holger Putz wrote: > > (i) if the parameters are not just a few numbers derived from the > > database, > > > but are a significant part of the database (like a list of all > > interatomic distances in the database) > > (ii) if part of the study was directly paid b

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Dr. Holger Putz
> ...or better, publish the parameters (hint, hint) That's an excellent idea! I will forward it to Dr. Hofmann. Thank you! Holger *** Dr. Holger Putz Crystal Impact Dr. K. Brandenburg & Dr. H. Putz GbR Postfach 12 51 53002 Bonn Germany Tel . : +49-228-9813643

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Alan Hewat
>...it's clearly an abuse and probably illegal... >So just use the algorithm... and let them sue... >> ...or better, publish the parameters (hint, hint) >That's an excellent idea! I will forward it to Dr. Hofmann. OK, I tried to keep this amusing, but this is getting serious. I am not in any way

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Armel Le Bail
Even Armel and I have to pay to eat... And a brain works better if the stomach is not empty... So, this story may have convinced you that people working on proteins are lucky with that open PDB database, that people working on nucleic acids are lucky with that open NDB database, that people workin

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Favre-Nicolin Vincent
On jeudi 8 Juillet 2004 12:07, Alan Hewat wrote: > I am all in favour of a serious debate on this question, but now we have > one commercial company criticising another without hearing from the other > side. And responsible people advocating behaviour that may be illegal. I would really like to

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Richard Karnesky
What a fine debate Armel and Alan have given to us! I can agree with Alan's point that the CCDC would want a slice of the money that Crystal Impact would receive. But Crystal Impact's statements didn't mention fiduciary gain being an issue. I don't know if they accurately describe the situati

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Alan Hewat
>I would really like to hear the other party, which is why I tried to list a >few possibilities under which the ccdc position would be understandable. OK, I have contacted the CCDC for a statement, and they tell me that this is an issue that is being discussed between the interested parties, th

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Brian H. Toby
I have to agree with Vincent that I find aspects of CCDC's apparent actions troubling and warrant discussion even if all parties reach a happy agreement behind closed doors. If the CCDC claims partial ownership of everything derived from their database then how far does that go? Can they preven

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Favre-Nicolin Vincent
On jeudi 8 Juillet 2004 17:19, Alan Hewat wrote: > They are informed of the statements made by individuals on this mailing > list, but feel that on-going commercial negotiations are not a subject for > public debate. Senior CCDC management, including the people in charge of > the negotiations, are

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Kurt Leinenweber
Thank you for this interesting discussion. Does this also apply to the ICSD database? I have made tables from data taken from ICSD - am I going to go to jail? - Kurt - Original Message - From: "Brian H. Toby" <[EMAIL PROTECTED]> To: <[EMAIL PROTECTED]>

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Hewat Alan
> I have made tables from data taken from ICSD - am I going to go to jail? Depends. If you are going to make your fortune from it and retire to the south of France on the proceeds, then yes, certainly ! In that case, you had better read the fine print on http://www.fiz-informationsdienste.de/en/ag

Re: Next Endeavour version without Hofmann potential

2004-07-08 Thread Ludwig Keller
<> I fear you will have to go but you can buy yourself out with a lifelong ICSD subscription! And remember, you have the right to remain silent. L. Keller

Problem: GSAS

2004-07-08 Thread santu chakraborty
Dear all,   We are trying to solve a powder crystal structure containing Praseodymium ( At. No. 59) as heavy atom. We have index the powder pattern by using the programme TREOR and DICVOL . Both gives the same results with a very figure of merits ( 23, 45). We have got the Pr co-ordinat