Re: [ccp4bb] DANO from PDB

2007-06-08 Thread Peter Adrian Meyer
> I add a fake "sigma" column for each "data" column because so many programs require one. This is slightly tangential, but does anyone know of a good way to generate semi-realistic sigma values for calculated/simulated data? The best I've been able to do is borrow from an experimental dataset of

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2007-06-08 Thread Bryan W. Lepore
On Fri, 8 Jun 2007, Anthony Addlagatta wrote: Seeding! since these crystals are undesirable, how about heterogeneous nucleation w/ xtals that have nice properties, or even something like this: pnas 2006 17jan06 103 3 596-691 -bryan

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2007-06-08 Thread Demetres D. Leonidas
Dear Sajid, the problem with all oils is that they allow some small evaporation that is why your drops dry out. You can set up your crystal drops over a reservoir (you use microbridges) which will be the same as your crystallization media and your drops won't dried out. best of luck Demetr

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2007-06-08 Thread Anthony Addlagatta
Seeding! AA On Jun 8, 2007, at 9:03 AM, sajid akthar wrote: Hi All I'm getting clusters of crystals (tiny and long needles) and I'm trying to get good single crystals. Even I'm getting the same result at low salt concentrations. I reduced the temperature to slow down the evaporation, st

Re: [ccp4bb] COOT (version 0.2, Jan 2007) and .FCF file

2007-06-08 Thread U Sam
Hi Paul,coot, version 0.3.1 finally have given me the map from .fcf file, but at the begining error messages are same as version 0.2.> Date: Thu, 7 Jun 2007 09:39:45 +0100> From: [EMAIL PROTECTED]> Subject: Re: [ccp4bb] COOT (version 0.2, Jan 2007) and .FCF file> To: CCP4BB@JISCMAIL.AC.UK>

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2007-06-08 Thread sajid akthar
Hi All I'm getting clusters of crystals (tiny and long needles) and I'm trying to get good single crystals. Even I'm getting the same result at low salt concentrations. I reduced the temperature to slow down the evaporation, still no change. So I'm trying with mineral oil. Here I'm getting some

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2007-06-08 Thread Peter Zwart
I suggest you go back to your images and see what is going on during indexing. You might want to check for certain unexplained peaks to could be an indication of reticular-non merohedral twinning: you have 30 58 118 90 90 90. If you take two unit cells and stick them on top of eachother, you will

[ccp4bb] Protein Crystallographer at Merck Research Laboratories

2007-06-08 Thread Becker, Joseph W
Sr. Research Chemist / Research Fellow-CHE001157 Sr. Research Fellow - CHE001158 Job Description Merck & Co. Inc., established in 1891, is a global research-driven pharmaceutical company dedicated to putting patients first. Join us and experience our culture first-hand - one of strong ethics

Re: [ccp4bb] long command line problem in ccp4i/scala

2007-06-08 Thread P.J.Briggs
Hi Klass Thanks for your comments, however it appears that neither CCP4_PARSER_MAXLINELENGTH nor CCP4_PARSER_MAXFILENAMELENGTH are actually used in the CCP4 parser code now. I think that they were left over from the initial implementation (I will clear them out for future releases), and my underst