Hello Mona, I am guessing you have the atom name,number and coordinates in your file. I did something like that and Openbabel will convert it to the pdb file you desire but as far as I know, you will have to assign a residue name to the atom yourself. I did this by superimposition on the original file and manually naming the atoms in a text editor. If all else fails, that is. Arti > Hello all, > > I have a coordinate file of an energy minimized molecule which was > apparently done using Chem 3D Pro. Does anyone know how I can convert > this to a pdb file? > > Thank you > Mona Rahman > > > -- > Mona N. Rahman, Ph.D. > Post-doctoral Fellow > Botterell Hall, Room 634 > Department of Biochemistry > Queen's University > Kingston, ON, K7L 3N6 > Tel: 613-533-6392 > E-mail: [EMAIL PROTECTED] >
Arti S. Pandey Graduate Student Chemistry and Biochemistry Montana State University Bozeman,MT 59717
