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  On Thu, 
2007-06-07 at 05:39 +, U Sam wrote:  Hi would appreciate 
suggestion/comments.  I am having a problem of opening .fcf file (created by 
shelx) in a new version of COOT (0.2, January 2007)   ((safe_scheme_command) 
Error in proc: key:  unbound-variable  args:(#f Unbound variable: ~S 
(read-cif-data-with-phases) #f))  This looks a bit like problem reported by 
George Sheldrick and fixed in later versions - my memory is hazy about ancient 
coots.   /usr/bin/awk  exit status: 0  This is coot checking that awk is 
available (it's running which awk)   Finally chances are that coot uses an 
environment variable to call   coot.   Sounds like a cool idea - there's a 
lot of recursion in coot.  Not implemented yet :)  So Sam, please try 0.3.1 
- if that fails then I'll do something about it.  Paul.
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[ccp4bb]

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 somewhat thicker 
needles and the number of needles is reduced. But my drop seems to be dried out 
in two or three days (I dont think there is a sealing problem). Can anyone 
suggest me to overcome this and to get good crystals.

Thankz in advance

Sajid


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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
the same protein (after scaling), but that doesn't work unless you've got
an experimental dataset corresponding to your simulated one.  I also tried
a least-squares fit (following a reference I don't have in front of
me...this was a while ago), which didn't result in a good fit for our
data.

Pete

Pete Meyer
Fu Lab
BMCB grad student
Cornell University