The sca program : an easy way for the conformational evaluation of polycyclic molecules

The present version of the SCA (Systematic Conformational Analysis) program analyzes polycyclic derivatives containing five-, six and seven membered rings and derives a restricted number of best candidates for further energy minimization. The program requires an IBM PC, XT, AT or compatible equipped with a mouse, an enhanced graphics adaptor and an EGA monitor. Molecules are entered as two-dimensional structural diagrams. The program will then select the most representative geometries among all possible basic conformations together with an approximate conformational energy. Conformations so obtained may be viewed three-dimensionally. Alternatively, input files may be created for direct further molecular mechanics treatment. The latter link makes it possible to perform energy minimizations on structurally complex and flexible molecules in the reassuring confidence that all best candidates were considered.