Re: [ccp4bb] video that explains, very simply, what Structural Molecular Biology is about

2009-11-15 Thread Konrad Hinsen
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

Re: [ccp4bb] video that explains, very simply, what Structural Molecular Biology is about

2009-11-15 Thread Christoph Best
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

[ccp4bb] Warren L Delano Memorial Fund

2009-11-15 Thread Bernhard Rupp
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

Re: [ccp4bb] edit mtz cell in header?

2009-11-15 Thread martyn . winn
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

Re: [ccp4bb] Regarding "Open Source"

2009-11-15 Thread James Stroud
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

Re: [ccp4bb] tr: Warren L Delano Memorial Award

2009-11-15 Thread Frederic VELLIEUX
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

Re: [ccp4bb] video that explains, very simply, what Structural Molecular Biology is about

2009-11-15 Thread Miguel Ortiz Lombardia
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

Re: [ccp4bb] video that explains, very simply, what Structural Molecular Biology is about

2009-11-15 Thread Kjeldgaard Morten
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

Re: [ccp4bb] Regarding "Open Source"

2009-11-15 Thread Jürgen Bosch
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

Re: [ccp4bb] Regarding "Open Source"

2009-11-15 Thread George M. Sheldrick
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

Re: [ccp4bb] video that explains, very simply, what Structural Molecular Biology is about

2009-11-15 Thread Nicholas M Glykos
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

Re: [ccp4bb] Regarding "Open Source"

2009-11-15 Thread James Stroud
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