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Are you doing refinement with riding hydrogens? You should be. They are very important to stereochemistry, even if they contribute little to x-ray scattering. Anthony Duff >-----Original Message----- >From: [EMAIL PROTECTED] [mailto:[EMAIL PROTECTED] On Behalf Of >Mario Sanches >Sent: Wednesday, 23 August 2006 3:44 AM >To: CCP4 Bulletin Board >Subject: [ccp4bb]: Refmac vs Ramachandran (low resolution) > >*** For details on how to be removed from this list visit the *** >*** CCP4 home page http://www.ccp4.ac.uk *** > > >Dear All, > >I am on the final stage of refinement and I am making sure, on coot, >that the residues are in the allowed regions of the Ramachandran Plot. >The problem is that, after Refmac, those residues are thrown back on the >disallowed regions. > >This a low resolution structure (3.35A). I am using a matrix weight >which renders a RMSD bond of 0.02A. Since it is very low resolution, I >thought it would be a good idea to keep all residues in the allowed >regions. Is there any way to tell Refmac to keep it there? > >Thank you in advance, > >Mario Sanches >
