Kier--Hall Descriptors



Cameron,
 As Paul Hawkins pointed out, one of the best source of software
 to calculate Kier--Hall topological indices is the original
 Kier-Hall code, Molconn-Z.  It is available in many forms including
 as an add-on to Sybyl (from Tripos).
 For those that are more interested in getting into the "nitty-gritty"
 of code work, EduSoft offers a version called Molconn-Z Toolkit.
 What this provides is the access to each and all descriptors via
 a library and call functions.  Example C++ code for using either
 Daylight SMILES library (www.daylight.com, extra license required) or
 OELIB library (www.eyesopen.com, GNU license) interface for reading
 in structures and printing out results.  It also includes our standard
 Stand Alone Molconn-Z C++ application.  A separate Toolkit is also
 available for our HINT library of fuctions which are useful for SCORING
 docking functions.
 For additional information, please see our Toolkit website:
 http://www.edusoft-lc.com/toolkits/index.html
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