diff --git a/run_asmc.py b/run_asmc.py index 989e9d1..28029af 100644 --- a/run_asmc.py +++ b/run_asmc.py @@ -60,7 +60,7 @@ def read_yaml(args): if not Path(yml[key]).exists(): logging.error(f"{yml[key]} doesn't exist") - elif key == "usalign" and (args.msa is None and args.active_site is None): + elif key == "usalign" and (args.msa is None and args.active_sites is None): command = f"{yml[key]} -h" try: ret = subprocess.run(command.split(), capture_output=True) @@ -351,7 +351,7 @@ def run_usalign(job, usalign, log): "alignment", "clustering", "logo"], default="logo", - help="indicates at which stage to stop") + help="indicates at which step to stop") input_opt = parser.add_argument_group("References Structures options") input_opt.add_argument("-r","--ref", type=str, metavar="", help="file containing paths to all references") @@ -367,22 +367,21 @@ def run_usalign(job, usalign, log): "If --seqs is given, homology modeling" " is performed. If --models is given, " "homology modeling is not performed " - "and if --actice-site is given just " - "the clustering is performed") + "and if --active-sites or --msa is given" + " just the clustering is performed") targts_opt_ex = targts_opt.add_mutually_exclusive_group(required=True) targts_opt_ex.add_argument("-s","--seqs", type=str, metavar="", - help="multi fasta file or directory containing each" - " single fasta file") + help="multi fasta file") targts_opt_ex.add_argument("-m","--models", type=str, metavar="", help="file containing paths to all models and for " "each model, his reference") targts_opt_ex.add_argument("-M","--msa", type=str, metavar="", help="file indicating active"+ " site positions for each references, identity_" - "target_ref path and the path of an MSA") - targts_opt_ex.add_argument("-a","--active-site", type=str, metavar="", - help="active site alignment in fasta format" + "targets_refs path and the path of an MSA") + targts_opt_ex.add_argument("-a","--active-sites", type=str, metavar="", + help="active sites alignment in fasta format" ", can be used to create subgroup") targts_opt.add_argument("--id", type=float, metavar="", default=30.0, help="percent identity cutoff between target and " @@ -391,9 +390,9 @@ def run_usalign(job, usalign, log): dbscan_opt = parser.add_argument_group("Clustering options") dbscan_opt.add_argument("-e", "--eps", type=str, metavar="", default="auto", help="maximum distance between two samples for them" - " to be considered neighbors [0,1] [default: auto]") + " to be considered neighbours [0,1] [default: auto]") dbscan_opt.add_argument("--min-samples", type=str, metavar="", default="auto", - help="the number of samples in a neighborhood for " + help="the number of samples in a neighbourhood for " "a point to be considered as a core point " "[default: auto]") dbscan_opt.add_argument("--test", type=int, choices=[0, 1], default=0, @@ -556,7 +555,7 @@ def run_usalign(job, usalign, log): models_file = Path.joinpath(outdir, "models.txt") # No active site alignment provide - if args.active_site is None: + if args.active_sites is None: # No MSA provided => Run Structural Alignment if args.msa is None: @@ -591,14 +590,14 @@ def run_usalign(job, usalign, log): except FileNotFoundError as error: logging.error(error) multiple_alignment = Path.joinpath(outdir, - "active_site_alignment.fasta") + "active_sites_alignment.fasta") multiple_alignment.write_text(text) else: logging.error(f"argument -M/--msa '{args.msa}' file not found") # An active site alignment is provided else: - multiple_alignment = Path(args.active_site) + multiple_alignment = Path(args.active_sites) # Stop after alignment if args.end == "alignment":