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QCPE Linux Software Program

QCPE (Quantum Chemistry Program Exchange) has made a collection of Fortran software including:

  • EHMACC - the most highly developed EHT program available today
  • Connolly MS program
  • DNMR5 Dynamic NMR
  • ECEPP/2 Empirical Conformational Energy Program for Peptides
  • LAOCN-5 Analysis of Isotropic Spectra (NMR) of Spin-1/2 Systems
  • General Vibrational Analysis System
  • ASYM40 Force Constant & Normal Coordinate Analysis
  • PSDD: Perception-Type Neural Network Simulator
  • DNMR3-IT2- The Calculation of Complex Exchanged-Broadened NMR Spectra
  • PPP-MO (PAriser-PArr_Pople) Calculations
  • MOPAC Version 7

Current Version:   N/A

License Type:   Commercial

Home Site:

Source Code Availability:   Yes

Available Binary Packages:

  • Debian Package:   No
  • RedHat RPM Package:   No
  • Other Packages:   No

Targeted Platforms:

Tested with g77 Fortran compiler on Slackware '96 distribution.

Software/Hardware Requirements:

Fortran compiler

Other Links:

Mailing Lists/USENET News Groups:


User Comments:

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