Chemistry-related programs for OS/2 WARP and eComStation
archive there is a section of scientific programs where there are also some
programs for chemists. Basically it is periodic tables. Also there is a
PM-calculator of molecular weights and OS/2-port of the known converter of
various chemical formats — babel. The archive is updated from time to time
and there is possibility that there will be something new in it.
The powerful and free-of-charge program for
quantum-chemical calculations PC GAMESS. There is OS/2 version,
optimizations for different processors, support for SMP. It can be
downloaded from the site:
devoted to the PC GAMESS program is located at the MSU Chemical Department
The program for determination of symmetry of molecules. It is very
useful in case of big molecules or in case of «almost
symmetric» molecules. Very simple data input: number of atoms, atomic
numbers and cartesian coordinates of each atom. OS/2 port can be found in
The program for solving of a direct spectroscopy
problem. The most powerful among analogues.
OS/2 port can be found in
Tinker — the software package for molecular mechanics and
dynamics. Various tools are accessible to optimization of geometry of
molecules, a finding of geometry of transitive states, etc. Force fields
— MM2, MM3, AMBER and others. Modelling greater biological molecules
OS/2 port (version 3.9) can be found on site:
For visualization of geometry of molecular structures
there is program PMViewMol.
This is simple and small program constructed on the basis of graphic
library WarpMesaGL which understands output files produced by UNEX, Gaussian, PC
Gamess and Priroda programs.
It can be found in
Free-of-charge graphic (PM) program for studying the kinetics of
chemical reactions - CHEMICAL KINETICS SIMULATOR (CKS 1.01). It was
developed in one of research centers of IBM. Can be downloaded from IBM site:
for calculation of kinetics of chemical reactions with the certain
mechanism. Also allows to find factors of the kinetic equations from
experimental dependences of concentration on time.
— the program for semiempirical quantum-chemical calculations.
Jmol — program for
visualization molecular structures geometry, vibrations, crystal
structures, and more. Under OS/2 tested with Golden Code Java 1.4.1_07.
DevCon - site for developers of eComStation software