On 15 Nov 2009, at 12:54, Kjeldgaard Morten wrote:
Yes, but models that can be validated against experimental data. The
defining characteristics of computational models is that they (A)
are 100% dependent on the algortihm, (B) can't be validated at all.
Computational models can be validated
Hello everybody-
> Molecular models are the result of numbers emerging from computer programs.
> The results of such computations do not reflect anything in nature. There's
> no experimental evidence whatsoever, making modelling a very theoretical --
> in my eyes uninteresting -- exercise.
Molecu
Dear All,
to provide additional incentive for smaller donations to the
Warren Delano Memorial Fund, I am raffling off a signed
copy of my book (a $140 value) for $5.00 raffle ticket.
I donate an additional book (up to 5 books), each time we reach
150 tickets. All proceeds will go to the Fund.
T
Well, yes, that's how I would do it (but with Emacs).
But I guess the official way would be with Reflection Data Utilities -> Edit
MTZ Datasets which will edit the dataset cells. It wraps keywords of CAD.
Martyn
-Original Message-
From: CCP4 bulletin board on behalf of Ed Pozharski
Sent
On Nov 15, 2009, at 2:15 AM, George M. Sheldrick wrote:
My attempts to cover this by writing grant applications were
(with the exception of a couple of EU grants) singularly unsuccessful,
one DFG attempt about 5 years ago was rejected with the justification
that I was "too inexperienced" to write
Dear All,
For those of you who may worry about the future and future availability of
PyMol, this is the information I have received from Elizabeth Pehrson (Warren's
wife, DeLano Scientific LLC):
"I would like to reassure all who fear for PyMOL's future that DeLano
Scientific still exists, we ar
Le 15 nov. 09 à 12:54, Kjeldgaard Morten a écrit :
On 14/11/2009, at 20.17, Miguel Ortiz Lombardia wrote:
Le 14 nov. 09 à 19:15, Kjeldgaard Morten a écrit :
On 14/11/2009, at 18.55, Ronald E Stenkamp wrote:
The rumblings here at the Univ. of Washington among the
computational modelers is
On 14/11/2009, at 20.17, Miguel Ortiz Lombardia wrote:
Le 14 nov. 09 à 19:15, Kjeldgaard Morten a écrit :
On 14/11/2009, at 18.55, Ronald E Stenkamp wrote:
The rumblings here at the Univ. of Washington among the
computational modelers is that some of their current models might
be more rep
On Nov 15, 2009, at 5:15 AM, George M. Sheldrick wrote:
one DFG attempt about 5 years ago was rejected with the justification
that I was "too inexperienced" to write crystallographic software.
*lol*
How insightful from the DFG, I guess they must have been right saying
you are so inexperie
An editor recently suggested to me that I should change the words "Open
Source" in a manuscript to "open source" and I was happy to accept her
advice because I think that it makes a useful distinction. We
understand "Open Source" to mean strict compliance with the 10 criteria
proposed by the Op
Apologies for the free editing:
> >
> > Molecular models are the result of numbers emerging from computer programs.
> > The results of such computations do not reflect anything in nature. There's
> > no experimental evidence whatsoever, making modelling a very theoretical --
> > in my eyes uninte
On Nov 14, 2009, at 11:24 PM, Partha Chakrabarti wrote:
Dear BBusers,
I initially did not want to post this in the BB. With all due respect,
could we use the word "open source" for those programs where the
latest build or source code are available to the community?
Regards, Partha
Open sourc
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