Re: [ccp4bb] Calculating water accessible volume in active site

2012-09-08 Thread Manas Sule
NACCESS is a good tool for SASA calculations..You could also try using CAVER or LIGSITE Regards Manas

Re: [ccp4bb] Calculating water accessible volume in active site

2012-09-07 Thread Robert Nicholls
Hi Yarrow, You can use the likes of areaimol to calculate the surface accessible area, with or without accounting for crystal symmetry: http://www.ccp4.ac.uk/html/areaimol.html There are other alternatives, but I hope that helps, Rob On 8 Sep 2012, at 00:37, Yarrow Madrona wrote: > I have a

[ccp4bb] Calculating water accessible volume in active site

2012-09-07 Thread Yarrow Madrona
I have a buried active site and would like to determine if there is room for a water molecule in various mutants. Does anyone know of a good program to calculate this? I have heard of GRID and VOID but have never used them. Thanks. -- Yarrow Madrona Graduate Student Molecular Biology and Bioch