Re: [ccp4bb] How to number atoms in a ligand

] On Behalf Of Zheng Zhou Sent: Monday, October 08, 2007 9:01 AM To: CCP4BB@JISCMAIL.AC.UK Subject: [ccp4bb] How to number atoms in a ligand Hi, all I am a rookie in crystallography. I know this may be a little bit off topic. I have cocrystallized several compounds with my favorite protein. I fou

Re: [ccp4bb] How to number atoms in a ligand

Dear Joe, Atom labels are, in principle, arbitrary. The molecule doesn't case what we call its atoms. To make the PDB more useful, it is handy if all the people working with a particular compound use the same names for their atoms. If you find that someone has already deposited a structure

[ccp4bb] How to number atoms in a ligand

Hi, all I am a rookie in crystallography. I know this may be a little bit off topic. I have cocrystallized several compounds with my favorite protein. I found crystal structures for some of these chemicals. But the numbering systems are different in those original papers for the small molecules. S