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Opened 6 years ago
Closed 6 years ago
#3045 closed enhancement (not a bug)
Merging models/fragments
| Reported by: | Tristan Croll | Owned by: | Eric Pettersen |
|---|---|---|---|
| Priority: | major | Milestone: | |
| Component: | Structure Editing | Version: | |
| Keywords: | Cc: | ||
| Blocked By: | Blocking: | ||
| Notify when closed: | Platform: | all | |
| Project: | ChimeraX |
Description
I understand adding a "merge models" command has been on the to-do list for a while. If it's helpful, I have a working method at https://github.com/tristanic/isolde/blob/master/isolde/src/atomic/building/merge.py (albeit not yet implemented as a command). Takes a target model and a Residues object to merge in, and optionally applies a transform, reassigns chain id, renumbers, or bonds to an existing chain at the N and/or C-termini. If any of the last four options are used, all residues to merge must have the same chain ID, otherwise you can do everything in one hunk. Missing structure pseudobonds are copied over, but it doesn't yet create new pseudobonds between existing residues and the new ones. I haven't yet done anything for metal coordination pseudobonds (mainly because I'm not yet sure how to create the manager).
Anyway, since it's something I'll be needing in the reasonably near future I'm happy to keep fleshing this out into something in ISOLDE (e.g. an isolde merge command) - but since merging is destined to be a part of ChimeraX proper I'd be happy to donate this as a starting point. Just let me know.
Information relevant to ticket #2236; referred to this ticket there