Re: [ccp4bb] AW: [ccp4bb] solvent exposed

2014-06-26 Thread abbas maqbool
Hi Jeff, You can compare volume of binding cavities of two proteins. You can quickly check cavity size in your structure using PDBsum or you can use a program called viodoo to calculate volume of the cavity. Following paer can be helpful http://www.ncbi.nlm.nih.gov/pmc/articles/PMC2683046/ Rega

[ccp4bb] AW: [ccp4bb] solvent exposed

2014-06-25 Thread Herman . Schreuder
Jef, PISA will give you the size of the protein-substrate interface, which is inversely correlated to the solvent exposed surface. Subtracting the interface surface from the total surface of the substrate will give you an estimate of the solvent exposed surface. Best regards, Herman -Urspr