Louis BECQUEY

updated command options list

......@@ -60,13 +60,19 @@ The detailed list of options is below:
-h [ --help ] Print this help message
--version Print the program version
-f [ --full-inference ] Infer new mappings even if Rfam already provides some. Yields more copies of chains
mapped to different families.
-r 4.0 [ --resolution=4.0 ] Maximum 3D structure resolution to consider a RNA chain.
Select what to do:
--------------------------------------------------------------------------------------------------------------
-f [ --full-inference ] Infer new mappings even if Rfam already provides some. Yields more copies of
chains mapped to different families.
-s Run statistics computations after completion
--extract Extract the portions of 3D RNA chains to individual mmCIF files.
--keep-hetatm=False (True | False) Keep ions, waters and ligands in produced mmCIF files.
Does not affect the descriptors.
Does not affect the descriptors.
--no-homology Do not try to compute PSSMs and do not align sequences.
Allows to yield more 3D data (consider chains without a Rfam mapping).
Select how to do it:
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--3d-folder=… Path to a folder to store the 3D data files. Subfolders will contain:
RNAcifs/ Full structures containing RNA, in mmCIF format
rna_mapped_to_Rfam/ Extracted 'pure' RNA chains
......@@ -74,16 +80,22 @@ The detailed list of options is below:
--seq-folder=… Path to a folder to store the sequence and alignment files. Subfolders will be:
rfam_sequences/fasta/ Compressed hits to Rfam families
realigned/ Sequences, covariance models, and alignments by family
--no-homology Do not try to compute PSSMs and do not align sequences.
Allows to yield more 3D data (consider chains without a Rfam mapping).
--maxcores=… Limit the number of cores to use in parallel portions to reduce the simultaneous
need of RAM. Should be a number between 1 and your number of CPUs. Note that portions
of the pipeline already limit themselves to 50% or 70% of that number by default.
--archive Create tar.gz archives of the datapoints text files and the alignments,
and update the link to the latest archive.
--no-logs Do not save per-chain logs of the numbering modifications
Select which data we are interested in:
--------------------------------------------------------------------------------------------------------------
-r 4.0 [ --resolution=4.0 ] Maximum 3D structure resolution to consider a RNA chain.
--all Build chains even if they already are in the database.
--only Ask to process a specific chain label only
--ignore-issues Do not ignore already known issues and attempt to compute them
--update-homologous Re-download Rfam and SILVA databases, realign all families, and recompute all CSV files
--from-scratch Delete database, local 3D and sequence files, and known issues, and recompute.
--archive Create a tar.gz archive of the datapoints text files, and update the link to the latest archive
--no-logs Do not save per-chain logs of the numbering modifications
```
Options --3d-folder and --seq-folder are mandatory for command-line installations, but should not be used for installations with Docker. In the Docker container, they are set by default to the paths you provide with the -v options.
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