I am not sure whether I have this straight but someone has sent a pdb file from phenix refinement with these atoms in the pdb file.. .... ATOM 5580 N GLY S 18 36.182 44.368 56.021 1.00 79.25 N ATOM 5581 CA GLY S 18 37.168 44.349 57.091 1.00 74.78 C ATOM 5582 C GLY S 18 37.048 43.211 58.097 1.00 73.20 C ATOM 5583 O GLY S 18 37.043 42.043 57.734 1.00 74.31 O ATOM 5584 N SER S 19 36.992 43.568 59.375 1.00 75.40 N ...
HETATM11068 O HOH S 16 68.933 60.684 119.353 1.00 32.35 O HETATM11069 O HOH S 17 17.772 20.649 91.306 1.00 40.79 O HETATM11070 O HOH S 18 23.684 50.229 65.614 1.00 41.00 O HETATM11071 O HOH S 19 45.488 71.114 105.890 1.00 51.50 O Then REFMAC gets upset because "residue" S 18 appears twice.. Doesnt PHENIX worry about this? or has the user edits these HOH atoms into the file? And what should we do about it Eleanor .... ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
