Changes between Version 1 and Version 4 of Ticket #1021


Ignore:
Timestamp:
Jul 20, 2021, 3:00:44 PM (4 years ago)
Author:
Eric Pettersen
Comment:

Upon sober reflection, I've decided that having Helix, Sheet, etc. classes is far more trouble than it's worth. Right now its easy for a user to combine two strands separated by straight coil into one strand by reassigning ss_types and ss_ids. As classes, that would be a nightmare. And what about coordinate sets? Ouch.

Instead, have a dssp-like routine that computes the auxiliary secondary structure info on request, for the infrequent cases where it is needed.

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  • Ticket #1021

    • Property Milestone → 1.4
    • Property Cc Greg Couch added
    • Property Summary First class secondary structure elements → Compute auxiliary secondary structure info

  • Ticket #1021 – Description

    v1 v4  
    1 1) Helix, Strand, and Sheet classes
    2 2) preserve PDB/mmCIF info
    3 3a) have readers/writers utilize that info
    4 3b) have ksdssp set that info (will be some work for sheets)
     1on demand