![]() |
LIPID Metabolites And Pathways Strategy |
STStr - Sterol (ST) structure generation methods
use STStr;
use STStr qw(:all);
STStr module provides these methods:
Return a reference to an array containing complete ST abbreviations. Wild card characters in ST abbreviation name are expanded to generate fully qualified ST abbreviations.
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 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 ST abbreviation is supported.
Return 1 or 0 based on whether ST substituent abbreviation is supported.
Return 1 or 0 based on whether ST double bond abbreviation is valid.
Return 1 or 0 based on whether ST substituent abbreviation is valid.
Return 1 or 0 based on whether ST abbreviation contains wild card.
Parse ST abbreviation and return these values: STType, SubstituentsAbbrev, and DoubleBondsAbbrev.
Parse ST double bond abbreviation and return these values: BondPos1 and BondPos2.
Parse ST substituents abbreviation and return these values: SubstituentPos, SubstituentAbbrev, and SubstituentStereoChemistry.
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 ST abbreviation is valid.
ChainStr.pm, LMAPSStr.pm, 
Copyright (C) 2006-2017. The Regents of the University of California. All Rights Reserved.
Modified BSD License