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#1
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| Hello, I am having trouuble with missing residues in pdb files and need to replace them (i.e. interpolate them) using a program. I think swiss- pdbviewer and pymol do that. My problem is that I am not very capable of using those programs and the person whom I asked for help told me that I have to check for missing residues in pdb file, open swiss- pdbviewer then add residue at correct place and finally she told me that I might need to do an energy minimization and I am thinking that I will definitely do a mistake there. I was wondering if anyone knows a more automated way to get the missing residues inserted for me because I am thinking that you can find missing residues in pdb and and programs can read that info and add these missing residues themselves automatically.. (but again maybe not..) Thanks. Sincerely, Arif. |
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#2
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| In article <[Only registered users see links. ]>, "ozgun.harmanci" <[Only registered users see links. ]> wrote: Missing residues mean that they were too flexible in the crystal to be detected by X-ray scattering. Which, crudely, means that they were "everywhere". So just add the residues manually into some random non-folded conformation avoiding close contacts with the rest of the protein. But keep in mind that in reality you don't know where these residues really are => the new positions you built should not form a basis for any analysis/results. In that respect, you will probably be better off not building any missing residues into your PDB at all. DK |
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| file , missing , pdb , residues |
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