Opened 4 weeks ago
Closed 4 weeks ago
#18827 closed enhancement (fixed)
Allow alphafold dimers command to restrict to nearby sequences
Reported by: | Tom Goddard | Owned by: | Tom Goddard |
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Priority: | moderate | Milestone: | |
Component: | Structure Prediction | Version: | |
Keywords: | Cc: | Elaine Meng | |
Blocked By: | Blocking: | ||
Notify when closed: | Platform: | all | |
Project: | ChimeraX |
Description
It is sometimes useful to restrict predictions of dimers to sequences that are near each other on a genome. If the input fasta sequences are for an organism such as Mycoplasma genitalium in genome order, then it can be useful to do predictions of sequences within N genes of each other because nearby genes more often have direct interactions when they are co-expressed within an operon.
Would like a maxSpacing option with integer value that specifies how far apart two sequences can be in the input list and still produce dimer output. A value of 1 would mean only adjacent sequence and homo-dimers would be output.
I used this capability in the following demonstration
https://www.rbvi.ucsf.edu/chimerax/data/local-msa-sep2025/pp_screening.html
Change History (1)
comment:1 by , 4 weeks ago
Cc: | added |
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Resolution: | → fixed |
Status: | assigned → closed |
Done.
Added maxSpacing option. It applies to all output formats (fasta, json, yaml). The default is that there is no restriction on spacing.