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    Crystal Structure Prediction

    Crystal Structure Prediction

    MOLPAK (MOLecular PAcKing) is used for predicting crystal structures

    MOLPAK (MOLecular PAcKing) is a program for the prediction of crystal structures used in both energetic materials and pharmaceutical design. The MOLPAK package, as currently distributed, includes the MOLPAK code, PMIN code, Utilities programs, an interface program and a users guide document.
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