[ccp4bb] SAUC cell search now includes COD cells as well as PDB

2016-11-27 Thread Herbert J. Bernstein
The unit cell search at http://iterate.sf.net/sauc/ now includes 368 thousand Crystallographic Open Database (COD) cells through 26 November 2016, as well as 111 thousand PDB cells through 18 November 2016. Please report problems to yaya...@gmail.com -- H. J. Bernstein

Re: [ccp4bb] CCP4BB Digest - 26 Nov 2016 to 27 Nov 2016 - Special issue (#2016-322)

2016-11-27 Thread Laurence Pearl
Picture of electron density didn’t come through, but three planar fused rings sounds like a flavin - is your protein involved in redox reactions and is it coloured when concentrated ? The only four ring molecules that spring to mind are steroids, but these wouldn’t be all that flat and you

Re: [ccp4bb] Problems finding the correct Cif file of a crystal structure

2016-11-27 Thread Harry Powell
Hi Cambridge Structural Database (CSD) should have only those small molecule structures that have at least one organic carbon - so it may have copper acetate (but which? There may be several...). For strictly inorganic structures you would need the Inorganic Crystal Structural Database (ICSD).