Thank You all for your warm responses. The issue now has been resolved. The co-ordinate which pop up in the error box were not matching to the PDB text co-ordinates.So we have gone through the placed water molecules one by one in PBD text file and checked for the same co-ordinates. We could find the few water molecules sharing the same co-ordinates. Somehow I have placed water molecule twice to a particular density.Hence the animosity arisen. Now I will delete the all water molecules and will place again diligently.
apologies.............. Deepak Chand Research Fellow (SRF) Structure Biology Group National Chemical Laboratory Pune 411008 Maharashtra, India (+91)020-25902212, Mob No. 9021766452 On Tue, Sep 2, 2014 at 12:06 PM, Deepak Chand <chanddee...@gmail.com> 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 >
