RE: Kier--Hall Descriptors



Cameron,
 The Molconn-Z package, available through SYBYL from Tripos or direct from
 EduSoft in certain circumstances, provides the Kier-Hall descriptors. Source
 code form may well be a problem, you certainly cannot get it from us and I
 suspect EduSoft would be loath to give it out too.
 You might have to contact Lamont Kier directly (or maybe Monty Hall) to get
 the source code.
 Paul Hawkins
 Applications Scientist
 Tripos Inc
 1699 South Hanley Road
 St. Louis MO 63144
 Ph: 617-899-4151
 E-mail: phawkins<<at>>tripos.com
 www.tripos.com
 -----Original Message-----
 From: Computational Chemistry List [mailto:chemistry-request<<at>>ccl.net]On
 Behalf Of Cameron Banks
 Sent: Wednesday, June 04, 2003 11:28 PM
 To: chemistry<<at>>ccl.net
 Subject: CCL:Kier--Hall Descriptors
 Can anyone point me to a program in source code form that can be used to
 compute Kier--Hall topological indices?
 Thanks
 Cameron
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