comparison wsdl_hmdb.pl @ 17:49f87ddb2c78 draft

Master branch Updating - - Fxx

16:8b2fbd449ffd

# wsdl_hmdb is a script to query HMDB website using mz and return a list of candidates sent by HMDB based on the ms search tool.
# Input : accurate mz or list of accurate masses
# Author : Franck Giacomoni and Marion Landi
# Email : fgiacomoni\@inra.fr
# Version : 1.5
# Created : 08/07/2012
# Updated : 19/01/2018
USAGE :		 
		wsdl_hmdb.pl 	-mass [one mass or a string list of exact masses] -delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file] 
		
		or 
		wsdl_hmdb.pl 	-masses [an input file of mzs] -colfactor [col of mz] -header_choice [yes|no] -nblineheader [nb of lines containing file header : 0-n]
						-delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file] 
						
		or 
		wsdl_hmdb.pl 	-h for help
		
		";

version 1.3 : 19 / 11 / 2014

version 1.4 : 21 / 01 / 2016 - a clean version for community

version 1.5 : 19 / 01 / 2018 - modifiy parser to match HMDB V4.0 formats

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17:49f87ddb2c78

# wsdl_hmdb is a script to query HMDB website using mz and return a list of candidates sent by HMDB based on the ms search tool.
# Input : accurate mz or list of accurate masses
# Author : Franck Giacomoni and Marion Landi
# Email : fgiacomoni\@inra.fr
# Version : 1.6
# Created : 08/07/2012
# Updated : 23/01/2019 - 1.6
USAGE :		 
		wsdl_hmdb.pl 	-mass [one mass or a string list of exact masses] -delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file] 
		
		or 
		wsdl_hmdb.pl 	-masses [an input file of mzs] -colfactor [col of mz] -header_choice [yes|no] -nblineheader [nb of lines containing file header : 0-n]
						-delta [mz delta] -mode [molecular species: positive|negative|neutral] -output [output tabular file] -view [output html file]
						-advancedFeatures [Default 0, set to 1 for advanced features as logp, inchi, ...]
						
		or 
		wsdl_hmdb.pl 	-h for help
		
		";

version 1.3 : 19 / 11 / 2014

version 1.4 : 21 / 01 / 2016 - a clean version for community

version 1.5 : 19 / 01 / 2018 - modify parser to match HMDB V4.0 formats

version 1.6 : 23 / 01 / 2019 - Manage UA http error and advanced feature from hmdb.

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