Re: [ccp4bb] Solvent channel volume measurement [SEC=UNCLASSIFIED]

2011-06-13 Thread Francois Berenger
On 06/13/2011 04:55 PM, DUFF, Anthony wrote: It may require some tricks, such as the creation of walls of CA atoms, but Kleywegt's FLOOD will give an answer in terms of number of water molecules. Some more tools are referenced here: http://hollow.sourceforge.net/ However, I did not tried them.

Re: [ccp4bb] Solvent channel volume measurement [SEC=UNCLASSIFIED]

2011-06-13 Thread DUFF, Anthony
It may require some tricks, such as the creation of walls of CA atoms, but Kleywegt's FLOOD will give an answer in terms of number of water molecules. Anthony Duff -Original Message- From: CCP4 bulletin board on behalf of Matthew BOWLER Sent: Mon 6/13/2011 5:40 PM To: CCP4BB@JISCMAIL.A