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rs-station / rs-booster

Useful scripts for analyzing diffraction
https://rs-station.github.io/rs-booster/
MIT License
3 stars 4 forks source link

allow nonstandard settings for space groups #45

Closed kmdalton closed 8 months ago

kmdalton commented 8 months ago

rs.rfree restricted the -sg / --spacegroup argument to be an integer. This is not necessary. gemmi will interpret "19" and 19 both as meaning P 21 21 21. Allowing string inputs allows the user to specify nonstandard settings such as P 21 1 1 for spacegroup 4.

kmdalton commented 8 months ago

thanks, @dennisbrookner, i'll go ahead and merge