Re: [ccp4bb] Number of Molecules in Asymetric Unit

2015-04-01 Thread Bernhard Rupp (Hofkristallrat a.D.)
New kernel version

 

 <http://www.ruppweb.org/mattprob/default.html> 
http://www.ruppweb.org/mattprob/default.html

 

Best, BR

From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of amro selem
Sent: Wednesday, April 01, 2015 8:45 AM
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] Number of Molecules in Asymetric Unit

 

Dear CCP4 Community ,

which program i should use in ccp4 backage to find how many molecules in 
Asymetric Unit .

All the best

Amr



Re: [ccp4bb] Number of Molecules in Asymetric Unit

2015-04-01 Thread doris quay
It's the Mathews Coefficient. 


 On Wednesday, April 1, 2015 4:51 PM, amro selem 
<03391c09f749-dmarc-requ...@jiscmail.ac.uk> wrote:
   

 Dear CCP4 Community ,which program i should use in ccp4 backage to find how 
many molecules in Asymetric Unit .All the bestAmr
 

   

Re: [ccp4bb] Number of Molecules in Asymetric Unit

2015-04-01 Thread Roger Rowlett
In the CCP4i GUI you will find "Phaser Cell Content Analysis" under the 
"Analysis" tab. IIRC, this calls up the Matthews Probability Calculator. 
It will give you a good idea of the likely number of search models in 
the ASU. For large numbers, e.g. >3, the most probable number is likely 
to be unreliable and you might try smaller numbers and observing the 
packing of the partial solutions to get a better clue of the correct number.


Cheers,

___
Roger S. Rowlett
Gordon & Dorothy Kline Professor
Department of Chemistry
Colgate University
13 Oak Drive
Hamilton, NY 13346

tel: (315)-228-7245
ofc: (315)-228-7395
fax: (315)-228-7935
email: rrowl...@colgate.edu

On 4/1/2015 11:45 AM, amro selem wrote:

Dear CCP4 Community ,
which program i should use in ccp4 backage to find how many molecules 
in Asymetric Unit .

All the best
Amr




[ccp4bb] Number of Molecules in Asymetric Unit

2015-04-01 Thread amro selem
Dear CCP4 Community ,which program i should use in ccp4 backage to find how 
many molecules in Asymetric Unit .All the bestAmr