Re: [ccp4bb] bltwish and RHEL5

2009-11-14 Thread Kevin Cowtan
What you are supposed to do is edit the environment variable CCP4_TCLTK in your ccp4.setup. (Actually, this doesn't work for me - I'm not sure how it is supposed to work. I need to hack the script to create a CCP4_TCLTK_BIN and CCP4_TCLTK_LIB variable which are set from CCP4_TCLTK, and then

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

2009-11-14 Thread George M. Sheldrick
Apologies for the typo, I meant to say 'Bernhard'. George Prof. George M. Sheldrick FRS Dept. Structural Chemistry, University of Goettingen, Tammannstr. 4, D37077 Goettingen, Germany Tel. +49-551-39-3021 or -3068 Fax. +49-551-39-22582 On Sat, 14 Nov 2009, George M. Sheldrick wrote: I also

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

2009-11-14 Thread George M. Sheldrick
I also think that it is a very nice video and I will certainly be showing it to my students (and relatives). However the little step between recording the X-ray reflections and getting a final refined map might be expanded a little. That is after all what CCP4 etc. is about! Otherwise, despite

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

2009-11-14 Thread Frederic VELLIEUX
Dear Bulletin Board, The following URL's may help people to understand crystallography (this was also pointed out to me by Ines Kahlaoui last night, I am so grateful to her): http://videolectures.net/mit3091f04_sadoway_lec14/ (for the Boltzmann distribution) through to

Re: [ccp4bb] Blast from the past

2009-11-14 Thread Nicholas M Glykos
Hi James, Too many reflections to store These errors are so 1993. ;-)) I adore both 1993 and my statically declared arrays, especially those that include otherwise arbitrary arithmetic constants hidden in #defines. They make the code impossible to read, and give me the opportunity to

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

2009-11-14 Thread Miguel Ortiz Lombardia
Le 14 nov. 09 à 10:53, Frederic VELLIEUX a écrit : Dear Bulletin Board, The following URL's may help people to understand crystallography (this was also pointed out to me by Ines Kahlaoui last night, I am so grateful to her): http://videolectures.net/mit3091f04_sadoway_lec14/ (for the

[ccp4bb] Postdoc position at Karolinska Institutet

2009-11-14 Thread Ylva Lindqvist
A postdoctoral position is available, in the group of Molecular Structural Biology at Karolinska Institutet in Stockholm, to work on structure and function of proteins involved in lipid signaling and metabolism. Applicants should have a background in biochemistry and molecular biology and an

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

2009-11-14 Thread Van Den Berg, Bert
I wonder, just as a side note, whether there will still be a (big) need for X-ray crystallography in a couple of decades? What will be the state of the art then in structure prediction? How much of structure space will have been covered by then, so that homology modeling can do most of the

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

2009-11-14 Thread Ronald E Stenkamp
The rumblings here at the Univ. of Washington among the computational modelers is that some of their current models might be more representative of protein structures in solution than are the crystal structure models. It may take less than a couple of decades for a reduced emphasis on

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

2009-11-14 Thread Kjeldgaard Morten
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 representative of protein structures in solution than are the crystal structure models. It may take less than

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

2009-11-14 Thread Miguel Ortiz Lombardia
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 representative of protein structures in solution than are

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

2009-11-14 Thread Athanasios Dousis
Fred, Great video-- thanks for sharing it with us. Could someone (preferably with a personal connection to the French owners) please ask if the English version can be posted on Google Video or Youtube? I'd like to distribute the link, but the file is too large for casual downloading and

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

2009-11-14 Thread Frederic VELLIEUX
It it Inès Kahlaoui and Dominique Sauter who should be thanked. The first one (Inès) located this jewel and was kind enough to inform me. The second person (Dominique) directed the movie. My (small) contribution was to realise how important this movie was. Fred. Message du 14/11/09 23:21 De

[ccp4bb] tr: Warren L Delano Memorial Award

2009-11-14 Thread Frederic VELLIEUX
Dear all, I have received this from Axel. I did not see the [ccp4bb] tag on it, so I pass it on. I think that this is important, since Warren has done so much for us all. I'll see how I can contribute (I hope it is easily done from abroad). Fred. Message du 15/11/09 01:09 De : Axel Brunger

[ccp4bb] Regarding Open Source

2009-11-14 Thread Partha Chakrabarti
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

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

2009-11-14 Thread Axel Brunger
Dear Fred, Thank you for posting it to the newsgroup. The DeLano family has setup a PayPal account to deposit a donation into the fund. See http://www.jmdelano.com/. Best regards, Axel On Nov 14, 2009, at 9:10 PM, Frederic VELLIEUX wrote: Dear all, I have received this from Axel. I did

Re: [ccp4bb] Regarding Open Source

2009-11-14 Thread Pavel Afonine
Dear Partha, I didn't really want to enter this discussion, and I might be totally wrong writing it Saturday midnight... but... I guess open source means what it means: the source code available to anyone, right? Latest or not latest... I guess that would be an additional decoration to