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
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 Tom Goddard, 4 weeks ago

Cc: Elaine Meng added
Resolution: fixed
Status: assignedclosed

Done.

Added maxSpacing option. It applies to all output formats (fasta, json, yaml). The default is that there is no restriction on spacing.

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