Using SHELXE for Molecular Replacement¶
Though it was originally designed for experimental phasing it may in certain cases be useful to use shelxe for certain Molecular Replacement problems. In these cases SHELXE is used for C-alpha tracing and density modification in an attempt to extend and improve models from a previous molecular replacement solution, given by one of the other tasks in ccp4i2.
Input¶
The user will need to provide the results from a previous MR solution. An estimate of the solvent content must also be given.
Phase information can also be defined for further refinement.