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LIPID Metabolites And Pathways Strategy |
ChainStr - Fatty Acyls (FA), Glycerolipids (GL) and Glycerophospholipids (GP) structure data generation methods
use ChainStr;
use ChainStr qw(:all);
ChainStr module provides these methods:
Assign stereochemistry to substituents using structure and stereochemistry data available via $CmpdAbbrevTemplateDataMapRef and $CmdDataLinesRef. And add new lines to existing structure data using $CmdDataLinesRef.
Return atom data lines suitable for writing to SD file. Atom data for all approrpriate chains is merged into a single string using new line character as delimiter.
Return bond data lines suitable for writing to SD file. Bond data for all approrpriate chains is merged into a single string using new line character as delimiter.
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.
Return a formatted count data line for SD file.
Return 1 or 0 based on whether stereochemistry is specifed for any substituent.
Setup compound abbreviation template data using a supported template.
FAStr.pm, GLStr.pm, GPStr.pm, LMAPSStr.pm, SPStr.pm
Copyright (C) 2006-2012. The Regents of the University of California. All Rights Reserved.
Modified BSD License