Re: [ccp4bb] Average B-factor

2013-09-02 Thread Tim Gruene 
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Dear Dhana,

if you used refmac5 or phenix.refine, these data ought to be in the
header of the PDB-file you are submitting to the PDB.

Best,
Tim

On 08/30/2013 11:45 PM, Dhanasekaran Varudharasu wrote:
 Dear crystallographers,
 
 I need to complete my crystal-data table. So, I want to calculate
 Average B-factor for protein atoms and water. Can anyone please
 tell me which CCP4 program that I have to use to calculate average
 B-factor.
 
 Thanks in advance
 
 Dhana
 

- -- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

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[ccp4bb] Average B-factor

2013-08-30 Thread Dhanasekaran Varudharasu 
Dear crystallographers,

I need to complete my crystal-data table.
So, I want to calculate Average B-factor for protein atoms and water. Can
anyone please tell me which CCP4 program that I have to use to calculate
average B-factor.

Thanks in advance

Dhana

Re: [ccp4bb] Average B-factor

2013-08-30 Thread Johan Hattne 
On Aug 30, 2013, at 14:45 , Dhanasekaran Varudharasu dhana...@gmail.com wrote:

 I need to complete my crystal-data table. So, 
 I want to calculate Average B-factor for protein atoms and water. Can anyone 
 please tell me which CCP4 program that I have to use to calculate average 
 B-factor. 

I'd suggest baverage, http://www.ccp4.ac.uk/html/baverage.html.

// Johan


  Postdoctoral Fellow @ Physical Biosciences Division
___
Lawrence Berkeley National Laboratory * 1 Cyclotron Rd.
Mail Stop 64R0121 * Berkeley, CA 94720-8118 * +1 (510) 495-8055

Re: [ccp4bb] Average B-factor

2013-08-30 Thread Xun Lu 
Dear Dhana,

  Calculate average B for each chain?  You could try baverage (in CCP4).


Best,
Xun



Sent from my iPhone

On Aug 30, 2013, at 5:45 PM, Dhanasekaran Varudharasu dhana...@gmail.com 
wrote:

 
 Dear crystallographers,
 
 I need to complete my crystal-data table. So, 
 I want to calculate Average B-factor for protein atoms and water. Can anyone 
 please tell me which CCP4 program that I have to use to calculate average 
 B-factor. 
 
 Thanks in advance 
 
 Dhana