
14 Oct
2010
14 Oct
'10
8:13 a.m.
Hi, I used the automated H-bond detection of Chimera to detect H-bonds between an target protein and its docked lignds. On your webpages (http://www.cgl.ucsf.edu/chimera/docs/ContributedSoftware/findhbond/findhbond...) I found the following: "[...] Relax H-bond constraints indicates that tolerances to Relax constraints by should be applied to the precise geometric criteria [...]; empirically, tolerances of 0.4 angstroms and 20.0 degrees work well for most macromolecular structures." Can you lease tell me if there is a literature which discusses this relaxation in more detail and can be referenced Many thanks for a reply. Cheers Joern