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LINUX Software Program
In the next issue of the QCPE Bulletin
which will appear in May 1997 (Vol. 17, No. 2) we
will be providing the complete details behind our
decision to gather and distribute LINUX-based software
for the PC.
At the moment we have a computer which is wholly
dedicated to LINUX work. We are using the Slackware '96
distribution and the g77 FORTRAN compiler.
We will also be porting many important programs.
For example we now have the following three programs
available:
- LNUX001 - EHMACC
This is the most highly developed EHT program
available today. This is the EHT portion of the
program QCPE 571 and is set up to handle up to 500
atoms. This system also contains parameters for
virtually any atom which one might consider using.
This system is also capable of doing Fragment MO
calculations.
- LNUX002 - Connolly MS program
This is the widely used and well known program
by Mike Connolly. It is the complete version which has
here-to-fore only been available for workstations.
- LNUX003 - DNMR5 Dynamic NMR
This is the well known program by G. Binsch et al
which does dynamic NMR calculations. It has been
most wisely known as QCPE 569 and QCMP059.
- LNUX002 - Connolly MS program
This is the widely used and well known program
by Mike Connolly. It is the complete version which has
here-to-fore only been available for workstations.
- LNUX003 - DNMR5 Dynamic NMR
This is the well known program by G. Binsch et al
which does dynamic NMR calculations. It has been
most wisely known as QCPE 569 and QCMP059.
- LINUX004 - ECEPP/2 Empirical Conformational Energy
Program for Peptides
- LINUX005 - LAOCN-5 Analysis of Isotropic Spectra
(NMR) of Spin-1/2 Systems
- LINUX006 - General Vibrational Analysis System
by Doug McIntosh
- LNUX007 - ASYM40 Force Constant & Normal
Coordinate Analysis
This program will handle structures
with up to 40 atoms
- LNUX008 - PSDD: Perception-Type Neural Network
Simulator
- LNUX009 - DNMR3-IT2- The Calculation of Complex
Exchanged-Broadened NMR Spectra
- LNUX010 - PPP-MO (PAriser-PArr_Pople) Calculations
- LNUX011 - MOPAC Version 7
We intend to add to this list before the official
notice in May and we are willing to accept any software
contributions which have been developed under LINUX.
Pricing will be identical with other PC-based
systems.
---Richard W. Counts/QCPE 3/3/97
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