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update doc for bigscape #270

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3 changes: 1 addition & 2 deletions docs/api/bigscape.md
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@@ -1,2 +1 @@
::: nplinker.genomics.bigscape
::: nplinker.genomics.bigscape.run_bigscape
::: nplinker.genomics.bigscape
19 changes: 3 additions & 16 deletions docs/concepts/bigscape.md
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@@ -1,19 +1,6 @@
NPLinker can run BigScape automatically if the `bigscape` directory does not exist in the working directory.
Both BigScape version 1 and 2 are supported.
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To run BigScape, NPLinker requires the following BigScape parameters:
See the [configuration template][configuration-template] for how to set parameters for running BigScape.

- `--mix`
- `--include_singletons`
- `--cutoffs`

And the following parameters are not allowed:

- `--inputdir`
- `--outputdir`
- `--pfam_dir`

If BigScape parameter `--mibig` is set, make sure setting the `mibig.to_use` to true in your config file `nplinker.toml` and `mibig.version` to the version of mibig used by bigscape.


See the [default configurations](./config_file.md#default-configurations) for the default
parameters of BigScape.
See the [default configurations][default-configurations] for the default parameters used in NPLinker.
4 changes: 4 additions & 0 deletions docs/css/extra.css
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pre code {
white-space: pre-wrap;
word-wrap: break-word;
}
3 changes: 3 additions & 0 deletions mkdocs.yml
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Expand Up @@ -44,6 +44,9 @@ extra:
version:
provider: mike

extra_css:
- css/extra.css

# https://www.mkdocs.org/user-guide/configuration/#validation
validation:
omitted_files: warn
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26 changes: 15 additions & 11 deletions src/nplinker/data/nplinker.toml
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Expand Up @@ -46,19 +46,23 @@ version = "3.1"
# Version of BiG-SCAPE to run. Make sure to change the parameters property below as well
# when changing versions.
version = 1
# Required bigscape parameters are `--mix`, `--include_singletons` and `--cutoffs`. NPLinker needs
# them to run the analysis properly.
# Parameters that must NOT exist: `--inputdir`, `--outputdir`, `--pfam_dir`. NPLinker will
# automatically configure them.
# If parameter `--mibig` is set, make sure setting the config `mibig.to_use` to true and
# `mibig.version` to the version of mibig in bigscape.
# Required bigscape parameters.
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# --------------
# For version 1:
# -------------
# Required parameters are: `--mix`, `--include_singletons` and `--cutoffs`. NPLinker needs them to run the analysis properly.
# Do NOT set these parameters: `--inputdir`, `--outputdir`, `--pfam_dir`. NPLinker will automatically configure them.
# If parameter `--mibig` is set, make sure setting the config `mibig.to_use` to true and `mibig.version` to the version of mibig in bigscape.
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# The default value is "--mibig --clans-off --mix --include_singletons --cutoffs 0.30".
# --------------
# For version 2:
# --------------
# Note that BiG-SCAPE v2 has subcommands. NPLinker requires the `cluster` subcommand and its parameters.
# Required parameters of `cluster` subcommand are: `--mibig_version`, `--include_singletons` and `--gcf_cutoffs`.
# DO NOT set these parameters: `--pfam_path`, `--inputdir`, `--outputdir`. NPLinker will automatically configure them.
# BiG-SCPAPE v2 also runs a `--mix` analysis by default, so you don't need to set this parameter here.
# Example parameters for BiG-SCAPE v2: "--mibig_version 3.1 --include_singletons --gcf_cutoffs 0.30"
parameters = "--mibig --clans-off --mix --include_singletons --cutoffs 0.30"
# for version 2, use the following parameters string:
# parameters = "--mibig_version 3.1 --include_singletons --gcf_cutoffs 0.30"
# Note that BiG-SCAPE v2 has subcommands. NPLinker requires the "cluster" subcommand and its parameters to be used.
NPLinker will automatically set the following parameters: `--pfam_path`, `--inputdir` and `--outputdir`. So, do not set them here.
# BiG-SCPAPE v2 also runs a --mix analysis by default, and does not need this to be included.
# Which bigscape cutoff to use for NPLinker analysis.
# There might be multiple cutoffs in bigscape output.
# Note that this value must be a string.
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1 change: 0 additions & 1 deletion src/nplinker/nplinker_default.toml
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Expand Up @@ -11,7 +11,6 @@ version = "3.1"
[bigscape]
version = 1
parameters = "--mibig --clans-off --mix --include_singletons --cutoffs 0.30"

cutoff = "0.30"

[scoring]
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