Open
Description
I think it is worthwhile to consider a python API for rs-booster
analogous to its command-line functionalities. I know that this would be useful and preferable for me, and I have discussed this with Doeke as well. Given that the spirit of reciprocalspaceship
is essentially "you can do crystallography in python!" it feels entirely natural for rs-booster
to work this way as well. I just wanted to open an issue to gauge thoughts on this and get folks' opinions.
I am happy to take this on. I don't think it would require the writing of much new code, just some refactoring of existing code. The end result can and certainly should be entirely reverse compatible with existing rs-booster
usage.