Re: [ccp4bb] phenix refinement peptide bond poor geometry

2009-12-21 Thread Salameh, Mohd A., Ph.D.
Sent: Friday, December 18, 2009 5:32 PM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] phenix refinement peptide bond poor geometry Dear all, I'm about to deposit a structure into the protein data bank and I'm encountering a disturbing problem, I have a protein site where the pept

Re: [ccp4bb] phenix refinement peptide bond poor geometry

2009-12-18 Thread Pavel Afonine
Hi Mohd, - if it is a regular peptide bond then they are linked automatically and this problem should never happen, otherwise there must be something not right with your input PDB file. - check in .geo file if this particular bond is restrained; If you send me (and not to the whole bb) the P

[ccp4bb] phenix refinement peptide bond poor geometry

2009-12-18 Thread Salameh, Mohd A., Ph.D.
Dear all, I'm about to deposit a structure into the protein data bank and I'm encountering a disturbing problem, I have a protein site where the peptide bond is not properly linked, the distance of C-N bond is 2.23 Angstrom, I tried to restrain that site by modifying my def file but the problem p