The project aims at providing a modular framework which allows the user to define new polymer chemistries , build them into sequences and perform sophisticated computations on them that simulate chemical reactions in order to create a simulated mass spectrogram reflecting all the previous steps 這項(xiàng)工程的目的是要提供一個(gè)模塊框架,允許用戶定義新的聚合化合物,將它們編入序列,并對它們進(jìn)行模擬化學(xué)反應(yīng)的復(fù)雜計(jì)算,以創(chuàng)建一個(gè)模擬的質(zhì)譜從而反映所有以前的步驟。