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LIPID Metabolites And Pathways Strategy |
FAStr - Fatty Acyls (FA) structure generation methods
use FAStr;
use FAStr qw(:all);
FAStr module provides these methods:
Return a reference to a hash containing ontology data with hash keys and values corresponding to property names and values.
Return a reference to an array containing ontology data lines suitable for generate SD file data block.
Return array references containing atom and bond data lines for SD file. Appropriate atom and bond data lines are generated using chain type and abbreviation template data.
Generate a SD file for compound abbreviations. Structure data for specified abbreviation is generated sequentially and written to SD file.
Return 1 or 0 based on whether FA abbreviated is supported. For unsupported FA abbreviations, a warning is printed unless PrintWarning flag is set.
Parse FA abbreviation and return these values: ChainsAbbrev and AbbrevModifier.
Process specified FA abbreviations to generate structures and write them out either a SD file or simply report number of valid abbreviations.
Return a reference to a hash containing template data for compound abbreviation. The template data is used to generate SD file for compound abbreviation.
Return 1 or 0 based on whether a FA abbreviation is valid.
ChainAbbrev.pm, ChainStr.pm, LMAPSStr.pm
Copyright (C) 2006-2012. The Regents of the University of California. All Rights Reserved.
Modified BSD License