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LIPID Metabolites And Pathways Strategy |
LMAPSStr - Glycerolipids (GL) structure generation methods
use LMAPSStr;
use LMAPSStr qw(:all);
LMAPSStr module provides these methods:
Return a formatted atom data line for SD file.
Return a formatted bond data line for SD file.
Return a formatted count data line for SD file.
Return a formatted miscellaneous data line for SD file. In addition to a time stamp, LipdMAPS name is used as the program name.
Parse SD file atom data line and return a list with these values: atom coordinates and element symbol.
Parse SD file atom bond data line and return a list containing these values: bond atom numbers and bond type.
Parse SD file count data line and return a list containing these values: atom/bond count and other miscellaneous count information.
Return an integer by rounding the number off to next integer.
Return a reference to an array containing specified compound abbreviations by parsing command line arguments or processing files containing specified abbreviations.
Return a SD file name by processing a specified -r, --root option or using default values.
Return a standardize stereochemistry specification containg R/S instead of a/b or alpha/beta.
Return a standardize stereochemistry specification containg alpha/beta instead of a/b or alpha/beta.
ChainAbbrev.pm, ChainStr.pm
Copyright (C) 2006-2012. The Regents of the University of California. All Rights Reserved.
Modified BSD License