Edit the file and remove the second entry of the atom. Then worry how it got there! Eleanor
On 2 September 2014 08:40, Tim Gruene <t...@shelx.uni-ac.gwdg.de> wrote: > Dear Deepak Chand, > > (in my understanding) the error message tells you very detailed and > clearly how to resolve the problem. Maybe you could explain a little > which part of it you don't understand? You could open the PDB file with > a text editor and take a look at the mentioned lines. > > Regards, > Tim > > > > On 09/02/2014 08:36 AM, Deepak Chand wrote: > > Dear all, > > I am uploading a PDB and after executing upload option along with mtz > > file > > several errors pop-up which is mentioned below.. > > > > where 10536 Serial no. correspond to the water molecule and 10670 S. No. > > doesn't exist in the PDB. > > > > > > ERROR: 2 atoms in lines (10536, 10670) have same coordinates: -1.977 > > 101.862 34.009. If > > these records are for the same atom of the same residue, the redundant > > coordinates > > should be either removed or combined. If these records are for different > > atoms > > assigned alternate conformations, please add their alternate conformation > > indicators at column 17. > > > > how Can I solve the problem? > > > > > > Thank you > > > > Deepak chand > > > > > > > > Deepak Chand > > Research Fellow (SRF) > > Structure Biology Group > > National Chemical Laboratory > > Pune 411008 > > Maharashtra, India > > (+91)020-25902212, > > Mob No. 9021766452 > > > > -- > Dr Tim Gruene > Institut fuer anorganische Chemie > Tammannstr. 4 > D-37077 Goettingen > > GPG Key ID = A46BEE1A > >
