While I agree in general with Daniel Beck's answer in that any question that can be reworded as a legitimate question can/should be kept open and even edited to be made on-topic, I don't agree that this specific question is on-topic. Here's why:
This is a question that after initial review, I couldn't think of a way of editing this question to make it less about the software-rec and more about an actual computer related problem. The only way to keep this question somewhat related to Super User would be to keep it a software recommendation question, which is clearly off-topic for here.
In my opinion, this question would be better suited for Chemistry.SE as it's more about that topic than Super Users. I checked their Meta, and it appears that they have a slightly similar approach as us for software-rec questions, thus IMO, making this question a valid question for them.