[EMAIL PROTECTED] wrote:
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.
As has been pointed out on this BBS before, the text editor "nedit" is very good for this because of the ability to cut and paste columns, i.e rectangular selections of text. Hold down the control key and drag from upper right to lower left corner (or v.v.) to select the column with residue names, copy, then select the same area in the defective file and paste. (Make sure the two selections have the same number of residues and atoms in each residue) Get nedit (if you don't have it) from nedit.org or "yum install nedit"
