[ccp4bb] Creating local/specific B-factor restraints in refmac

Hi, As far as I can tell from the refmac documentation, the only way to change B-factor restraints for nearby atoms is by changing the weighting globally, using, e.g., == BFAC 1.0 1.5 2.0 3.0 4.5 == Is there a way to implement a specific local b-

Re: [ccp4bb] Unknown electron density

Hi, Given the weakness and shapelessness of the density I doubt it is "one conformation of one thing", but rather a superposition of "one or more conformations of one or more things”. If that is the case then there probably isn’t enough information in the electron density or enough prior inform

Re: [ccp4bb] Unknown electron density

Thanks Nick. > > May be it is not that weak. The blue map contour level was set to 1.5. I have > attached another image in which the blue map is contoured to 1.0. I feel the > green density (contoured at 3.0) is not just some noise. > > On 26 October 2017 at 20:38, Nick Pearce

Re: [ccp4bb] Refining alt. confs for only part of a ligand

Conformer A atoms don’t “see” conformer B atoms so as far as the program is concerned the B conformer only has the last ring. You should set all confA atoms not in the last ring to blank conformers. So: last ring - A +B conformers rest of ligand - no conformer Thanks, Nick —