Re: question 2, for simplicity, I would call it all one helix and regard the 3-10 part as a distortion. Just my opinion.
Sent from Yahoo Mail on Android On Tue, 28 May 2019 at 13:48, Paul Emsley<[email protected]> wrote: On 28/05/2019 11:51, Stephan Grunwald wrote: > > I [have] recently solved [my] first X-ray structure and I would like to have > an opinion on > two questions, both dealing with secondary structure assignments. > > First of all, the wwPDBs says ”We encourage authors to use the calculated > helix (or sheet) records and not > provide their own remarks.” (https://www.wwpdb.org/documentation/procedure). > It says in the same > documentation, that the Promotif software will automatically assign SSE upon > deposition (does Promotif use > the DSSP algorithm?). 1) Your are encouraged, not mandated. ProMOTIF/dssp is one of a number of ways to generate secondary structure annotations. You seem to have a good reason to use "your own" assignment. Go ahead and do so, don't give it a second thought. I don't have an opinion about question 2. Paul. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
