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.
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