Re: [ccp4bb] Completeness question

Hi Clemens, Thanks for pointing out the table in the PDBpeep log file. It has the data I need and since the issue only applies to deposited PDB entries it does the trick quite nicely. Cheers, Robbie > -Original Message- > From: Clemens Vonrhein > Sent: Wednesday, June 3, 2020 14:18 >

Re: [ccp4bb] Question about small molecule crystallography

Dear Jiyuan, There was a similar question on the bulletin board some 6 years ago; my response then (links below) complements some of the other great suggestions already made in answer to your question: , and

Re: [ccp4bb] Completeness question

Dear Robbie, On Sat, May 30, 2020 at 08:36:06AM +, Robbie Joosten wrote: > I've been looking at some recent PDB entries that have much lower > spherical) completeness than reported in the coordinate file. One > reason for this is that the data were anisotropicly truncated, > another reason is

Re: [ccp4bb] Question about small molecule crystallography

Dear Jiyuan, May I make some advertisement for our tutorial, we published some time ago? Our article "Some thoughts about the single crystal growth of small molecules" (https://pubs.rsc.org/en/content/articlelanding/2012/ce/c1ce05624g#!divAbstract) should exactly answer most of your questions.