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DSSP E and B characters do not match original Kabsch & Sander 1983 definitions #691
Description
From the original paper:
“B” = residue in isolated beta-bridge
“E” - extended strand. participates in beta-ladder
However, cpptraj uses E to mean parallel beta and B to mean anti-parallel. May want to introduce a keyword that brings output in line with DSSP definition.
Activity
saikat0003 commentedon Aug 21, 2019
Dear Sir,
Is this issue solved?
drroe commentedon Aug 21, 2019
Not yet - I've been swamped with other projects for a while but I'm working on it now. The DSSP algorithm needs a bit more reworking beyond this issue, so it's taking a little longer than I had originally thought.
drroe commentedon Aug 21, 2019
The original email that sparked the issue (for my reference): http://archive.ambermd.org/201903/0181.html
drroe commentedon Sep 3, 2019
Should now be addressed by #748. @saikat0003 please let me know if you see any problems.