MOPAC 2002 for Linux. Unix, Windows
- From: "FQS Poland" <ccs -AatT-
fqspl.com.pl>
- Subject: MOPAC 2002 for Linux. Unix, Windows
- Date: Mon, 21 Jan 2002 16:46:40 +0100
MOPAC 2002 for Linux (with GUI), Unix, Windows
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* New method PM5 - 4x more accurate (over PM3 and AM1)
* Addition of AM1-d - the full set of metals that can be run using
AM1 is now V, Fe, Cu, Mo, Pd, Ag, and Pt.
* Linear scaling COSMO
* Improved SCF convergence in MOZYME
* Improved evaluation of canonical molecular orbitals
* Addition of new parameter sets
* Molecular Mechanics correction for carbon ring systems
To learn more, please visit
http://www.fqspl.com.pl/linmopac/default.html
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CAChe WS Pro 5.0 for Win/Mac with MOPAC 2002
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* Spreadsheet workbook for molecule properties
* Quantum chemistry on giant molecules (up to 20,000 atoms)
* All main group elements in one semiempirical method
* A protein sequence editor
* Ease of navigation through tens of thousands of atoms
* Integrated QSAR and QSPR for ADME, LogP, Rule-of-5
To learn more or get a free evaluation CD with full version,
please visit http://www.CACheSoftware.com/cache5
Magdalena Wilczewska <ccs -AatT- fqspl.com.pl> Tel.: (+48 12) 429 43 45