Лаборатория изучения механизмов органических реакций

g2i

Usage: g2i [-b <basis>] [-m <memory>] [-o <type>] [-s] [<infile>] [<outfile>]

Извлекает из GAMESS and Priroda output files последнюю геометрию
и печатает ее в MOLDEN-формате, либо, если заданы соответствующие опции,
Converts GAMESS and Priroda output files
into IGLO, CLOPPA, Priroda and Dalton input files

<type> of output format is MOLDEN by default

If <type> is C (case insensitive) - CLOPPA
   <basis>, <memory> and -s are irrelevant

If <type> is D (case insensitive) - DALTON
   <basis> is the name of the basis description file
   <memory> is irrelevant
   If -s is given, symbolic atom names from <infile> are used

If <type> is I (case insensitive) - IGLO
   <basis> may be DZ (default), I, II, III, IV (case insensitive) or 1, 2, 3, 4
   <memory> may be given in k, K, m, M or 8-byte words
   -s is irrelevant

If <type> is P (case insensitive) - Priroda
   <basis> is the name of the basis description file (3z is default)
   <memory> and -s are irrelevant

If <type> is M (case insensitive) - xyz in MOLDEN format
   <basis>, <memory> and -s are irrelevant

<infile> and <outfile> are STDIN and STDOUT by default

The program knows GAMESS and Priroda file formats and recognizes them on 
input automatically. Input may be multipoint (SCAN or IRC) or concatenated 
GAMESS/Priroda files. In these cases output includes every point, and 
<outfile> is incremented