I would be grateful for any advice on how to obtain refmac information
equivalent in detail to the shelxl Disagreeable restraints before
cycle N listing. In the later stages of refining a set of related
structures, I have been alternating between shelxl and refmac. Typically
this relies on
Dear Alistair,
Erratic behaviour is often caused by the antibumping restraints because
they get switched off and on, and riding hydrogens and changes in the
occupancies can affect their action. This probably applies to both programs.
Any suggestions for improving the bulk solvent model in
On Thursday, 02 October, 2014 12:07:54 Alastair Fyfe wrote:
I would be grateful for any advice on how to obtain refmac information
equivalent in detail to the shelxl Disagreeable restraints before
cycle N listing.
This is controlled by the MONI keyword.
To get a full list on every cycle
