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. I don't know how they delimit the limits of channels, which may be an interesting question. Regards, F.
Anthony Duff -----Original Message----- From: CCP4 bulletin board on behalf of Matthew BOWLER Sent: Mon 6/13/2011 5:40 PM To: [email protected] Subject: [ccp4bb] Solvent channel volume measurement Dear All, does anyone know of a program that can measure the volume or largest dimension of the solvent channels in crystals? Cheers, Matt. -- Matthew Bowler Structural Biology Group European Synchrotron Radiation Facility B.P. 220, 6 rue Jules Horowitz F-38043 GRENOBLE CEDEX FRANCE =================================================== Tel: +33 (0) 4.76.88.29.28 Fax: +33 (0) 4.76.88.29.04 http://go.esrf.eu/MX ===================================================
