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martinate.sh doesn't include insane.py #29
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Assembling all the bricks for using martini forcefield on a protein feels like a convoluted treasure hunt, and having insane.py here would simplify it greatly.
There would be some incentives to having insane.py directly in this script:
- It isn't yet on GitHub, and needs some change work with martini3.
- martinate.sh requires it to run anyway, so anyone downloading this repository will HAVE TO search for
insane.py, then put it in gromit repository, rename itinsaneand make it executable with achmod +x insane. This felt annoying for me, but may have been hard for a beginner in informatics who would just want to do some coarse-grained simulations. - The very least would be to give a link to where to download
insane.pyin theREADME.md, which currently isn't even the case, so you have to go on cgmartini.nl and findinsane.pylink . (For anyone reading this issue and still wondering whereinsane.pywas hidden: in Downloads -> Tools -> Proteins and bilayers.)
I added insane and made changes in README in Pull Request #25. Still pending for review.
Another possibility would be to create its own personal GitHub repository to insane.py, then have it here as a git submodule.
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