Re: [ccp4bb] COOT RSR

2021-11-20 Thread Paul Emsley
On 20/11/2021 11:31, Weiergräber, Oliver H. wrote: Dear Paul, >From my experience, I agree that an option to inactivate the anti-bumping restraints in RSR would be very useful. To be honest, my impression is that it tends to be a hindrance rather than helping, at least in cases where

Re: [ccp4bb] COOT RSR

2021-11-20 Thread Weiergräber , Oliver H .
Dear Paul, >From my experience, I agree that an option to inactivate the anti-bumping >restraints in RSR would be very useful. To be honest, my impression is that it tends to be a hindrance rather than helping, at least in cases where extensive rebuilding is required. Best regards Oliver

Re: [ccp4bb] COOT RSR

2021-11-20 Thread Paul Emsley
On 20/11/2021 09:42, Matthew Snee wrote: I had a bit of trouble getting used to the new COOT real space refine... it took me an embarrassingly long time to work out that there is nothing wrong with the fitting/restraints.. You are not alone in finding Coot's RSR unintuitive (at least

[ccp4bb] COOT RSR

2021-11-20 Thread Matthew Snee
Hi all I had a bit of trouble getting used to the new COOT real space refine... it took me an embarrassingly long time to work out that there is nothing wrong with the fitting/restraints.. it just doesn't seem to allow clashes with parts of the model that aren't in the selected RSR zone even