file for voidoo (in fact, 4
variants). Perhaps that helps.
cheers
Martyn
-Original Message-
From: CCP4 bulletin board [mailto:CCP4BB@JISCMAIL.AC.UK] On Behalf Of Fred
Vellieux
Sent: 04 April 2019 07:24
To: ccp4bb
Subject: [ccp4bb] Current "best" software for computing volumes
You can have a look at Caver.
I find it quite easy to use and it worked for me on some weirdly shaped
cavities.
Gianluca Santoni, serial crystallographer
ESRF structural biology group
71 avenue des Martyrs
38027 Grenoble cedex (France)
On 04/04/2019 08:24, Fred Vellieux wrote:
Hi CCP4BBers,
Well, I don't know if that is the newest appropriate piece of software, but
pdbsum does automatic calculation of clefts using MOLE I think. It does
provide jmol and rasmol scripts and volume and surface calculations.
Cheers
Christian
On Thu, Apr 4, 2019 at 8:24 AM Fred Vellieux
wrote:
> Hi CCP4
Hi CCP4BBers,
With software constantly changing, new versions arriving to us and new
software reaching the intended audience, I am looking for the most
appropriate piece(s) of software to compute the volume of active site
"cavities" in related 3D structures.
I have tried to use Voidoo howeve
