Closed dennisbrookner closed 1 year ago
Note that in adding support for multiple RBR selections, I have essentially dropped support for a single custom selection (e.g. to exclude special position atoms). This feature should be reimplemented in the future.
This update supports multiple rigid-body selections, specified as e.g.
-r A B
. These will be rigid-body refined separately. The maps will be aligned separately for each rigid-body selection, resulting in a separate difference map for each.Currently, only selections of an entire, single chain are well-tested.