Input and Options of MacSyFinder¶
Input dataset¶
The input dataset must be a set of protein sequences in Fasta format (see http://en.wikipedia.org/wiki/FASTA_format).
The base section in the configuration file (see Configuration file) can be used to specify the path and the type of dataset to deal with, as well as the –sequence_db and –db_type parameters respectively, described in the Command-line options (see Input options).
Four types of protein datasets are supported:
unordered : a set of sequences corresponding to a complete genome (e.g. an unassembled complete genome)
ordered_replicon : a set of sequences corresponding to an ordered complete replicon (e.g. an assembled complete genome)
gembase : a set of multiple ordered replicons, which format follows the convention described in Gembase format.
For “ordered” (“ordered_replicon” or “gembase”) datasets only, MacSyFinder can take into account the shape of the genome: “linear”, or “circular” for detection. The default is set to “circular”.
This can be set with the –replicon_topology parameter from Command-line options (see Input options), or in the configuration in the base section.
With the “gembase” format, it is possible to specify a topology per replicon with a topology file (see Gembase format and Topology files).
Command-line options¶
Optional arguments:
-h, --help Show the help message and exit
-m [MODELS [MODELS ...]], --models [MODELS [MODELS ...]]
The models to search. The --models option can be set several times.'
For each --models options the first element must be the name of family models,
followed by the name of the models.
If the name 'all' is in the list all models from the family will be searched.'
'--models TXSS Flagellum T2SS'
means MSF will search for models TXSS/Flagellum and TXSS/T2SS
'--models TXSS all'
means for all models found in model package TXSS
'--models CRIPRcas/subtyping all'
means MSF will search for all models described in the CRISPRCas/subtyping subfamily.
(required unless --previous-run is set)
Input dataset options:
--sequence-db SEQUENCE_DB
Path to the sequence dataset in fasta format.
(required unless --previous-run is set)
--db-type {ordered_replicon,gembase,unordered}
The type of dataset to deal with. "unordered" corresponds
to a non-assembled genome,
"ordered_replicon" to an assembled genome,
and "gembase" to a set of replicons where sequence identifiers
follow this convention: ">RepliconName SequenceID".
(required unless --previous-run is set)
--replicon-topology {linear,circular}
The topology of the replicons
(this option is meaningful only if the db_type is
'ordered_replicon' or 'gembase'.
--topology-file TOPOLOGY_FILE
Topology file path. The topology file allows to specify a topology
(linear or circular) for each replicon (this option is meaningful only if
the db_type is 'ordered_replicon' or 'gembase'.
A topology file is a tabular file with two columns:
the 1st is the replicon name, and the 2nd the corresponding topology:
"RepliconA linear"
--idx Forces to build the indexes for the sequence dataset even
if they were previously computed and present at the dataset location.
(default: False)
Systems detection options:
--inter-gene-max-space INTER_GENE_MAX_SPACE INTER_GENE_MAX_SPACE
Co-localization criterion: maximum number of components non-matched by a
profile allowed between two matched components
for them to be considered contiguous.
Option only meaningful for 'ordered' datasets.
The first value must match to a model, the second to a number of components.
This option can be repeated several times:
"--inter-gene-max-space TXSS/T2SS 12 --inter-gene-max-space TXSS/Flagellum 20
--min-mandatory-genes-required MIN_MANDATORY_GENES_REQUIRED MIN_MANDATORY_GENES_REQUIRED
The minimal number of mandatory genes required for model assessment.
The first value must correspond to a model fully qualified name, the second value to an integer.
This option can be repeated several times:
"--min-mandatory-genes-required TXSS/T2SS 15 --min-mandatory-genes-required TXSS/Flagellum 10"
--min-genes-required MIN_GENES_REQUIRED MIN_GENES_REQUIRED
The minimal number of genes required for model assessment "
(includes both 'mandatory' and 'accessory' components).
The first value must correspond to a model fully qualified name, the second value to an integer.
This option can be repeated several times:
"--min-genes-required TXSS/T2SS 15 --min-genes-required TXSS/Flagellum 10
--multi-loci MULTI_LOCI
Specifies if the system can be detected as a 'scattered' system.
The models are specified as a comma separated list of fully qualified name
"--multi-loci model_familyA/model_1,model_familyB/model_2"
Options for Hmmer execution and hits filtering:
--hmmer HMMER Path to the hmmsearch program.
If it is not specify rely on the PATH
(default: hmmsearch)
--e-value-search E_VALUE_SEARCH
Maximal e-value for hits to be reported during hmmsearch search.
By default MF set per profile threshold for hmmsearch run (--cut_ga option)
for profiles containing the GA bit score threshold.
If a profile does not contains the GA bit score the --e-value-search (-E in hmmsearch)
is applied to this profile.
To applied the --e-value-search to all profiles use the --no-cut-ga option.
(default: 0.1)
--no-cut-ga By default the Mf try to applied a threshold per profile by using the
hmmer -cut-ga option. This is possible only if the Ga bit score is present in the profile otherwise MF switch to use the
the --e-value-search (-E in hmmsearch).
If this option is set the --e-value-search option is used for all profiles regardless
the presence of the a GA bit score in the profiles.
(default: False)
--i-evalue-sel I_EVALUE_SEL
Maximal independent e-value for Hmmer hits to be selected for system detection.
(default:0.001)
--coverage-profile COVERAGE_PROFILE
Minimal profile coverage required in the hit alignment to allow
the hit selection for system detection.
(default: 0.5)
Options for cluster and systems scoring:
--mandatory-weight MANDATORY_WEIGHT
the weight of a mandatory component in cluster scoring
(default:1.0)
--accessory-weight ACCESSORY_WEIGHT
the weight of a mandatory component in cluster scoring
(default:0.5)
--exchangeable-weight EXCHANGEABLE_WEIGHT
the weight modifier for a component which code for exchangeable cluster scoring
(default:0.75)
--redundancy-penalty REDUNDANCY_PENALTY
the weight modifier for cluster which bring a component already presents in other
clusters (default:1.5)
Path options:
--models-dir MODELS_DIR
specify the path to the models if the models are not installed in the canonical place.
It gather definitions (xml files) and hmm profiles in a specific
structure. A directory with the name of the model with at least two directories
profiles" which contains all hmm profile for gene describe in definitions and
models" which contains either xml file of definitions or subdirectories
to organize the model in subsystems.
-o OUT_DIR, --out-dir OUT_DIR
Path to the directory where to store results.
if out-dir is specified res-search-dir will be ignored.
--res-search-suffix RES_SEARCH_SUFFIX
The suffix to give to Hmmer raw output files. (default: .search_hmm.out)
--res-extract-suffix RES_EXTRACT_SUFFIX
The suffix to give to filtered hits output files. (default: .res_hmm_extract)
--profile-suffix PROFILE_SUFFIX
The suffix of profile files. For each 'Gene' element, the corresponding profile is
searched in the 'profile_dir', in a file which name is based on the
Gene name + the profile suffix.
For instance, if the Gene is named 'gspG' and the suffix is '.hmm3',
then the profile should be placed at the specified location
and be named 'gspG.hmm3'
(default: .hmm)
General options:
-w WORKER, --worker WORKER
Number of workers to be used by MacSyFinder.
In the case the user wants to run MacSyFinder in a multi-thread mode.
(0 mean all cores will be used).
(default: 1)
-v, --verbosity Increases the verbosity level. There are 4 levels:
Error messages (default), Warning (-v), Info (-vv) and Debug.(-vvv)
--mute mute the log on stdout.
(continue to log on macsyfinder.log)
(default: False)
--version show program's version number and exit
-l, --list-models display the all models installed in generic location and quit.
--cfg-file CFG_FILE Path to a MacSyFinder configuration file to be used.
--previous-run PREVIOUS_RUN
Path to a previous MacSyFinder run directory.
It allows to skip the Hmmer search step on same dataset,
as it uses previous run results and thus parameters regarding Hmmer detection.
The configuration file from this previous run will be used.
Conflict with options
--config, --sequence-db, --profile-suffix, --res-extract-suffix, --e-value-res, --db-type, --hmmer
Configuration file¶
Options to run MacSyFinder can be specified in a configuration file. The Config object handles all configuration options for MacSyFinder. Three locations are parsed to find configuration files:
$PREFIX/etc/macsyfinder/macsyfinder.conf
$(HOME)/.macsyfinder/macsyfinder.conf
./macsyfinder.conf
Moreover these three locations options can be passed on the command-line.
Each file can define options, and in the end all options are integrated. If an option is specified several times:
Note
The precedence rules from the least to the most important priority are:
$PREFIX/etc/macsyfinder/macsyfinder.conf < $(HOME)/.macsyfinder/macsyfinder.conf < ./macsyfinder.conf < “command-line” options
This means that command-line options will always bypass those from the configuration files. In the same flavor, options altering the definition of systems found in the command-line or the configuration file will always overwhelm values from systems’ XML definition files.
The configuration files must follow the Python “ini” file syntax. The Config object provides some default values and performs some validations of the values.
In MacSyFinder, six sections are defined and stored by default in the configuration file:
base : all information related to the protein dataset under study
sequence_db : the path to the dataset in Fasta format (no default value)
db_type : the type of dataset to handle, four types are supported:
unordered : a set of sequences corresponding to a complete replicon (e.g. an unassembled complete genome)
ordered_replicon : a set of sequences corresponding to a complete replicon ordered (e.g. an assembled complete genome)
gembase : a set of multiple ordered replicons.
(no default value)
replicon_topology : the topology of the replicon under study. Two topologies are supported: ‘linear’ and ‘circular’ (default = ‘circular’). This option will be ignored if the dataset type is not ordered (i.e. “unordered_replicon” or “unordered”).
models * list of models to search in replicon
models_opt
inter_gene_max_space = list of models’ fully qualified names and integer separated by spaces (see example below). These values will supersede the values found in the model definition file.
min_mandatory_genes_required = list of models’ fully qualified name and integer separated by spaces. These values will supersede the values found in the model definition file.
min_genes_required = list of models’ fully qualified name and integer separated by spaces. These values will supersede the values found in the model definition file.
hmmer
hmmer_exe (default= hmmsearch )
e_value_res = (default= 1 )
i_evalue_sel = (default= 0.5 )
coverage_profile = (default= 0.5 )
score_opt
mandatory_weight (default= 1.0)
accessory_weight (default= 0.5)
exchangeable_weight (default= 0.8)
redundancy_penalty (default= 1.5)
loner_multi_system_weight (default= 0.7)
directories
res_search_dir = (default= ./datatest/res_search )
res_search_suffix = (default= .search_hmm.out )
models_dir = (default= ./models )
res_extract_suffix = (default= .res_hmm_extract )
general
- log_level: (default= debug ) This corresponds to an integer code:
Level
Numeric value
CRITICAL
50
ERROR
40
WARNING
30
INFO
20
DEBUG
10
NOTSET
0
log_file = (default = macsyfinder.log in directory of the run)
Example of a configuration file
[base]
prefix = /path/to/macsyfinder/home/
file = %(prefix)s/data/base/prru_psae.001.c01.fasta
db_type = gembase
replicon_topology = circular
[models]
models_1 = TFF-SF_final all
[models_opt]
inter_gene_max_space = TXSS/T2SS 22 TXSS/Flagellum 44
min_mandatory_genes_required = TXSS/T2SS 6 TXSS/Flagellum 4
min_genes_required = TXSS/T2SS 8 TXSS/Flagellum 4
[hmmer]
hmmer = hmmsearch
e_value_res = 1
i_evalue_sel = 0.5
coverage_profile = 0.5
[score_opt]
mandatory_weight = 1.0
accessory_weight = 0.5
exchangeable_weight = 0.8
redundancy_penalty = 1.5
loner_multi_system_weight = 0.7
[directories]
prefix = /path/to/macsyfinder/home/
data_dir = %(prefix)s/data/
res_search_dir = %(prefix)s/dataset/res_search/
res_search_suffix = .raw_hmm
models_dir = %(data_dir)/data/models
profile_suffix = .fasta-aln.hmm
res_extract_suffix = .res_hmm
[general]
log_level = debug
worker = 4
Note
After a run, the corresponding configuration file (“macsyfinder.conf”) is generated as a (re-usable) output file that stores every options used in the run. It is stored in the results’ directory (see the output section).