Re: [ccp4bb] Off Topic: PDB validation server

2011-07-18 Thread Thomas Womack
On 8 Jul 2011, at 19:13, Katherine Sippel wrote: > 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 validatio

Re: [ccp4bb] Off Topic: PDB validation server

2011-07-12 Thread Katherine Sippel
Ha. That is obviously it. I failed to account for Brownian motion in the pdb file itself. Properly modeling this is really going to mess with my data to parameter ratio. Katherine On Tue, Jul 12, 2011 at 12:54 AM, James Stroud wrote: > On Jul 8, 2011, at 11:13 AM, Katherine Sippel wrote: > > >

Re: [ccp4bb] Off Topic: PDB validation server

2011-07-11 Thread James Stroud
On Jul 8, 2011, at 11:13 AM, Katherine Sippel wrote: > I was shocked to discover that the file with only one "questionable solvent" > in April now has 173 of them. One word: Diffusion. James

Re: [ccp4bb] Off Topic: PDB validation server

2011-07-08 Thread Katherine Sippel
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 wrote: > Hi a

[ccp4bb] Off Topic: PDB validation server

2011-07-08 Thread Katherine Sippel
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