CCL Home Preclinical Pharmacokinetics Service
APREDICA -- Preclinical Service: ADME, Toxicity, Pharmacokinetics
Up Directory CCL July 28, 1997 [003]
Previous Message Month index Next day

From:  "Dr. Heinz Schiffer" <schiffer "-at-" h1tw0036.hoec
Date:  Mon, 28 Jul 1997 17:28:59 +0200
Subject:  search for condensed rings


Dear netters,
I am looking for a simple algorithm to find all rings in a given
molecular structure (given by cartesian coordinates and connectivities).
The molecules have less than 100 atoms. I someone of you already
have such a program, it would be nice to have a copy of it.
Ciao,
Heinz
--
Dr. Heinz Schiffer              Phone   ++49-69-305-2330
Hoechst CR&T                    Fax     ++49-69-305-81162
Scientific Computing, G864      Email   schiffer-0at0-h1tw0036.hoechst.com
65926 Frankfurt am Main                 Schiffer : at : CRT.hoechst.com


Similar Messages
10/02/1997:  software for transition state searches
02/10/1998:  ACES2 / Transition State Optimization
05/20/1997:  Distributed Multipole Analysis
05/20/1997:  Fitting atomic multipoles
02/14/1997:  Singlet Oxygen with UHF
04/11/1997:  Re: CCL:G:geometry optimization methods
01/16/1997:  main memory
11/20/1996:   minimum distance periodic systems
01/13/1998:  Free program for CCSD(T)
10/02/1997:  transition state search


Raw Message Text