Re: [ccp4bb] Unknown electron density blob, pdb convention for partially ordered ligands

2017-01-25 Thread Robbie Joosten
Croll<mailto:ti...@cam.ac.uk> Verzonden: woensdag 25 januari 2017 18:30 Aan: CCP4BB@JISCMAIL.AC.UK<mailto:CCP4BB@JISCMAIL.AC.UK> Onderwerp: Re: [ccp4bb] Unknown electron density blob, pdb convention for partially ordered ligands I've often wondered about PEG (and, I guess

Re: [ccp4bb] Unknown electron density blob, pdb convention for partially ordered ligands

2017-01-25 Thread Tristan Croll
I've often wondered about PEG (and, I guess, other synthetic polymers): wouldn't it just be better to define the monomer, and then model a chain of however many monomers you need? T Tristan Croll Research Fellow Cambridge Institute for Medical Research University of Cambridge CB2 0XY

Re: [ccp4bb] Unknown electron density blob, pdb convention for partially ordered ligands

2017-01-25 Thread Edward A. Berry
Uma's use of quotes around "di" suggests a related question about PDB convention. It was my (perhaps not very good) understanding that ligands should be identified by what is actually present in the crystal, and not by what can be modeled. For example endogenous ubiquinone is likely to be UQ50