So for school I’m working on this project in which I’m building a virtual receptor to use programs to dock my potential drugs to. In making the model I have to find a template, align my receptor sequence then build the model. But I don’t just build one, because my receptor is not the same as the template I had to build some variation into my model; I have to make what is known as loop models. In my case, I made 3 initial models and 10 loop models of each. So I have 30 unique models to work with. Within each model I have 5 interfaces that my potential drugs can interact with; which means I have 150 unique interfaces in which I have to work with. In order to dock my potential drugs I then have to set up a separate file for each one for each interface. So for the last week I’ve been setting up all of those hundreds of files. To top it off, once I have all of those set up, I have to write a script for each interface so it will automate some of the next steps, like docking each potential drug individually. Well, with this script I’ve had to tweak it probably 4 times already in the last two days. Then when I uploaded it all to let it run I got an error message. That error made me go back and have to tweak an earlier file that the script has to pull from. So needless to say, I’m tired of editing and re-editing the same damn 150 files (or their variations).

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