[ccp4bb] Converting TNT HKL Files to MTZ using CCP4I in CCP4 6.0.2

2007-02-08 Thread Dale Tronrud
Hi, I have a basic operational problem. I am trying to convert a pair of TNT HKL format files into an MTZ file using the CCP4I interface. (I realize this is probably not the most heavily exercised code in the package.) When I run the task I get the following output. #CCP4I VERSION CCP4Interf

Re: [ccp4bb] BOG.cif library file

2007-02-08 Thread Avinash Gill
Hi Rebecca You will be able to find the dictionary entry for BOG (B-octylglucoside) on the HIC-UP server, located at http://xray.bmc.uu.se/hicup/ Search for your molecule (I looked for BOG and found it listed under Hetero compounds sorted by residue type name) and find the dictionary entry that yo

Re: [ccp4bb] off-topic Apple computer question

2007-02-08 Thread Jeff Speir
Hi Bill, This sounds very unusual. We have 3rd party RAM in almost all of our Macs, and I've never had a repair request denied by AppleCare. This is an allowed DIY (do it yourself) installation in most if not all their recent machines. It's common knowledge now that hard drives fail al

[ccp4bb] BOG.cif library file

2007-02-08 Thread Page, Rebecca
CCP4ers: I am trying to use coot (and refmac) to model and refine a structure with b-octylglucoside. The .cif library file in my ccp4 data directory for b-octylglucoside (BOG.cif) does not contain restraints. How can the restraints be generated? Does someone already have such a file for BOG

Re: [ccp4bb] off-topic Apple computer question

2007-02-08 Thread William Scott
It's Apple itself. It was no longer under warranty. They went to the trouble to pull out the memory and put it in an envelope separately with the message. Needless to say, I will make sure I pull out any 3rd party memory before sending anything to them again. Serge Cohen wrote: > -BEGIN PG

Re: [ccp4bb] off-topic Apple computer question

2007-02-08 Thread Serge Cohen
-BEGIN PGP SIGNED MESSAGE- Hash: SHA1 Hi Bill; Given the fact that for laptops apple puts the instructions on how to add/change the RAM in the user manual. Given also the fact that the position of the RAM and the disk are far apart it looks like the person servicing your laptop was

[ccp4bb] off-topic Apple computer question

2007-02-08 Thread William Scott
Hi folks: Sorry this is a wee bit off topic, but since I am more likely to get a straight answer from people here, I'm going to ask.. I have 2 identical laptops. We bought both for the lab about 2 years ago. They are G4 ppc. I bought an extra half gig of memory for each at the time of

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread Justin Schmitz
No just common buffer substances: Tris, NaCl. I think the Nitrogen I used for pressure filtration is solved. It took a long time, the pressure was high (I think around 5 bar) and I was stearing it. Since then it was was in an NMR tube with an stamp on the fluid so that I noticed every bubble.

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread Justin Schmitz
Thank you for all the replies. @ Kris It is not the problem of single gas bubbles, but of solved gas. I prepared the sample in the middle of December and it still degases that means bubbles appear. They can be removed but after a few days new ones are coming up. I'm doing NMR and the shimming

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread William Scott
Put it in 1 ml syringe, seal the end with your finger (use a piece of parafilm in between if you need it) and then draw out the plunger to create negative pressure, and your bubbles will go away. Then let it gravity-drain or very slowly push the contents into an eppindorf tube. or Speed-vac it

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread Matthew . Franklin
CCP4 bulletin board wrote on 02/08/2007 06:34:44 AM: > Thanks for the links to the boards! > > But I think you could also answer my question. I need a way to remove > gas, solved in my protein sample after using pressure filtration. My > problem is the small sample volume of 400 mikroliters. > >

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread lieven . buts
On Thursday 08 February 2007 12:34, Justin Schmitz wrote: > But I think you could also answer my question. I need a way to remove > gas, solved in my protein sample after using pressure filtration. My > problem is the small sample volume of 400 mikroliters. Our microcalorimeters came with a degass

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread Justin Schmitz
Thanks for the links to the boards! But I think you could also answer my question. I need a way to remove gas, solved in my protein sample after using pressure filtration. My problem is the small sample volume of 400 mikroliters. greets Justin P.s. special thanks to James for his construct

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread Ravi Nookala
Hi Justin, There is a similar bulletin board for NMR related questions and you can join the list @ http://www.jiscmail.ac.uk/archives/nmrgen.html Cheers Ravi Justin Schmitz wrote: Morning every body! Does anybody know a board for NMR releated questions which has a quality like this? Thx

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread Gerard DVD Kleywegt
Does anybody know a board for NMR releated questions which has a quality like this? when i was a lad, i used to subscribe to one called [EMAIL PROTECTED] - not sure what its current status is though --dvd **

Re: [ccp4bb] What not to publish?

2007-02-08 Thread Gerard DVD Kleywegt
Perhaps we need an extra PDB record (ILLDEF - for ill-defined ) this exists already - CAVEAT --gerard ** Gerard J. Kleywegt [Research Fellow of the Royal Swedish Academy of Sciences] Dept. of Cell &

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread Mark Agacan
Hey Justin, Try the ccpn board - the same as ccp4 but for nmr. You can subscribe to this through: http://www.ccpn.ac.uk/ Hope this helps, MARKX _ Dr Mark Agacan Scientific Officer, Division of Biological Chemistry and Molecular Microbiology, Wellcome Trus

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread James Stroud
There is an NMR Board. Problem is that you have to abide by its Rules: First Rule: You do not talk about the NMR board. Second Rule: You DO NOT talk about the NMR board. James Justin Schmitz wrote: Morning every body! Does anybody know a board for NMR releated questions which has a qualit

Re: [ccp4bb] Good NMR Board

2007-02-08 Thread Eleanor Dodson
I guess you can use this one - it certainly isnt restricted to crystallographic Qs.. Eleanor Justin Schmitz wrote: Morning every body! Does anybody know a board for NMR releated questions which has a quality like this? Thx for your answers

[ccp4bb] Good NMR Board

2007-02-08 Thread Justin Schmitz
Morning every body! Does anybody know a board for NMR releated questions which has a quality like this? Thx for your answers

Re: [ccp4bb] What not to publish?

2007-02-08 Thread Eleanor Dodson
I agree you should describe, and deposit what you have along with the experimental data. Then if anyone really wants to examine the structure in more detail, they can. Perhaps we need an extra PDB record (ILLDEF - for ill-defined ) Eleanor Richard Gillilan wrote: I'm sure many of you have bee