MaxIT Classic Manual do Utilizador descarregar pdf (Página 15)

When you want to calculate bigger molecules drawing could be very boring, so we can

be happy about another function of our used visualization program. MacMolPlt have the

possibility to import “.mol” files, which we can create with several molecule drawing

programs (like acd/chemsketch). After importing such a file, we can copy coordinates in

cartesian or in z-matrix form into our input file or use Brett's input builder.

This is an AM1 optimized structure of β-

cyclodextrine. At first it was painted with

chemsketch and pre-optimized with

molecular modelling tool. After

importing .mol file z-matrix it was copied

into input-file.

How to use MacMolPlt

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