i try to implement enspara as one of my standart analysis tools. I read in your publication from 2019 that you gave the solvent accessible surface area as an input feature. I would like to do this based on a distance measurement between 2 atoms tracked over the trajectory. However, i didnt find on your website how the feature input file should look like or how it is build.
Any hint on how to generate an input file like this is appreciated.
Thanks a lot for your effort!
Dear enspara Team,
i try to implement enspara as one of my standart analysis tools. I read in your publication from 2019 that you gave the solvent accessible surface area as an input feature. I would like to do this based on a distance measurement between 2 atoms tracked over the trajectory. However, i didnt find on your website how the feature input file should look like or how it is build.
Any hint on how to generate an input file like this is appreciated. Thanks a lot for your effort!