Hi All, I have a very similar question; why can't we retain the same water numbering as the deposited files. For articles that discuss waters, it is a considerable challenge. For example, for serial crystallography structures, it becomes confusing and harder for the readers to follow the water numbering. Since the authors use the same numbering system for the similar waters in the different structures of the same protein at different time points during the enzyme activity, however, after depositing, the waters are renumbered in each model differently.
Cheers, Mohamed On Mon, Nov 1, 2021 at 4:01 PM Oganesyan, Vaheh < [email protected]> wrote: > Hi All, > > > > This question is mostly for RCSB and PDBe: why are you renaming chains in > the deposited PDB files? Why does it matter what letter is assigned to the > chain? For 1,2 or 3 chain structures it is manageable, but for more chains > and/or many complexes per asu this becomes quite a challenge. And if chains > are similar in shape it is a real pain. Reading associated manuscripts and > looking at those structures is an additive that feels unnecessary. > > > > Thank you in advance for explaining the logic behind. > > > > *Vaheh Oganesyan, Ph.D.* > > *R&D* *| Biologics Engineering* > > One Medimmune Way, Gaithersburg, MD 20878 > > T: 301-398-5851 > > *[email protected] <[email protected]>* > > > > ------------------------------ > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 > -- *----------------------------------* *Dr. Mohamed Ibrahim * *Postdoctoral Researcher * *Humboldt University * *Berlin, Germany * *Tel: +49 30 209347931 * ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
