Calculate omit mapΒΆ

To calculete omit maps i2 uses comit software that calculates composite omit maps by omitting spheres of density from the asymmetric unit and reconstructing those spheres using sigma-a weighted maps to restore the omitted density. Unlike the existing omit map task, comit uses refmac for its structure factor calculations.

References

Bhat, T. N. (1988). J. Appl. Cryst. 21, 279-281