Re: [ccp4bb] differentiating cation and anions in high resolution structures

Dear Kristof, The following literature can be a start point for you. /Acta Cryst./ (2003). D*59*, 32-37 Is the bond-valence method able to identify metal atoms in protein structures? P. Müller

Re: [ccp4bb] differentiating cation and anions in high resolution structures

ehalf Of Kristof Van Hecke Sent: Thursday, November 06, 2008 7:55 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] differentiating cation and anions in high resolution structures Dear all, I'm looking for some means (literature refe

[ccp4bb] differentiating cation and anions in high resolution structures

Dear all, I'm looking for some means (literature references,.. possible programs) to differentiate between cations (Na+), anions (e.g. Cl-) and water molecules in high resolution protein/DNA structures, based on B-factors, distances, coordination, etc.. Does anyone has got an idea of what's