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A classic case of this is crambin. Residue 25 of 3nir. -James Holton MAD Scientist On 6/24/2019 1:00 AM, Guenter Fritz wrote: > Dear all, > > I am refining a multimer and mass spec data of the sample indicate > that there is a mixture of two variants which differ in one amino acid > residue. The density that we see is therefore most likely an average > of both variants. I have created a pdb file with "alternate residues" > each with 0.5 occupancy at this position to use it in refinement. > However, the programs detect this as an error in the pdb file. > > Has anyone faced such a problem previously? Any suggestions are very > much appreciated. > > Thanks a lot and best regards, Guenter > > ######################################################################## > > To unsubscribe from the CCP4BB list, click the following link: > https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1 ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1