Hi again, I have an update. The nice people at the PDB have gotten in touch and they think it might be a bug. They are looking into it.
Thank you for all the off-board replies and I hope you all have a wonderful weekend. Katherine On Fri, Jul 8, 2011 at 1:13 PM, Katherine Sippel <[email protected] > wrote: > Hi all, > > I am putting the finishing touches on a structure and as a good little > crystallographer I am running it through Molprobity and PDB validation to > make sure everything clears before deposition. Everything was looking > alright until I threw the file into the PDB validation server and suddenly > there are a significant number of solvents that violate the 3.5 angstrom > rule. Concerned that something had gone wrong I put an older file that I had > run through the server in April. I was shocked to discover that the file > with only one "questionable solvent" in April now has 173 of them. > > I know that the PDB updated its validation server in May as described in > their news link but it seemed to indicate an increase in output options > rather than a change in criteria. Is anyone aware of what changes were made > to the validation server in regards to the preferred geometrical and > stereochemical features? > > Thanks for your time, > > Katherine >
