Dear All,
Chris Weichenberger just released the 2014 update for TWILIGHT. It is available from my web site http://www.ruppweb.org/twilight/default.htm http://journals.iucr.org/d/issues/2013/02/00/issconts.html http://journals.iucr.org/f/issues/2013/02/00/issconts.html Please note: The list can be sorted by various scores, but all have their limitations. RSCC is a good start, but does not tell everything and does fail in various situations. One has to examine and investigate each case on its own merits. We do not provide any comments or analysis beyond the statistics RSCC, OWAB, and a total score. The most common reason for a bad score seems to be modelling with too much enthusiasm. Even if a part of a ligand fits very well, when the remainder is insouciantly added, the score will get hammered. This again points to the unresolved question what to do with parts of any moiety not completely visible in density.. Sans Souci may work for palaces, less so for ligands. Best wishes, BR
