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add flag to write out bootstrap msa from main run #125

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@harmsm harmsm commented Aug 12, 2021

It would be extremely useful if raxml-ng could write out bootstrap multiple sequence alignments from tree building runs (e.g. --all). Although the --bsmsa mode allows a user to write out bootstrap alignments, doing subsequent tree building on these alignments loses the fast parallelization native to raxml-ng/libpll. I'd like to run --all and be able to get a stack of bootstrap trees and alignments I can then use for downstream analyses.

I implemented a new flag (--bs-write-msa) that causes raxml-ng to call the code block under control of Command::bsmsa, thus writing out the bootstrap replicate alignments after tree creation. The new flag sets a new write_bs_msa boolean I added to the main opts data structure. I added a doc string to the command line argument and an error check to make sure the flag is only invoked if bootstrap replicates are being generated.

Not sure if there I should merge into dev or master. (It looked like dev was stale). Let me know if I should change PR branches.

Thanks for great package and for considering PR.

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harmsm commented Aug 12, 2021

After initial PR I realized this requires one more tweak so raxml-ng only writes out the number of bootstrap alignments it used. If we set the maximum number of replicates to 1,000 but it converges after 250, the code now writes out 250 alignments, not 1,000.

amkozlov added a commit that referenced this pull request Sep 8, 2021
…ence run (PR #125, thanks to @harmsm)

Squashed commit of the following:

commit f5056c33f6c10e951599434e530b1d774263789d
Author: Alexey Kozlov <alexey.kozlov@h-its.org>
Date:   Wed Sep 8 16:28:52 2021 +0200

    minor style corrections

commit d5e43e4
Author: harmsm <harmsm@gmail.com>
Date:   Wed Aug 11 18:35:14 2021 -0700

    only write out number of bootstrap alignments used

commit 05df874
Author: harmsm <harmsm@gmail.com>
Date:   Wed Aug 11 16:59:32 2021 -0700

    added error check to make sure bootstraps being generated

commit 1f2906b
Author: harmsm <harmsm@gmail.com>
Date:   Wed Aug 11 16:47:55 2021 -0700

    added option to write all bootstrap msa
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amkozlov commented Sep 8, 2021

Thanks Mike, I just merged it into master manually with minor changes!

@amkozlov amkozlov closed this Sep 8, 2021
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