Dear Collègues, I am trying to model a protein with a bound uracil. I have a template also with bound uracil. I modified the testyp.lib file in order to name uracil "U" and I included /U* at the end of the alignment for both template and target. The modeling goes on smoothly but I get a strange uracil with protein backbone atoms: N, CA, C,... Therefore Modeller thinks U is an aminoacid. I tried various tricks: putting different chain names for the protein and the uracil in the template pdb file, or changing ATOM to HETATM for the uracil, adding HETATM_IO = on to the top file but the problem remains. Could you please help me ? Two more things: I still use Modeller 6v2. I am not currently a subscriber to the list, therefore please answer directly to me and/or send the message to the list if you think it is worth it. Thanks in advance;
Michel
Michel Seigneuret Institut Cochin, U567-UMR8104 Département de Biologie Cellulaire 22 rue Méchain, 75014 Paris, France Tel: 33 (0)1 40 51 64 50 Fax: 33 (0)1 40 51 64 54
On Wed, Oct 27, 2004 at 03:18:56PM +0200, Michel Seigneuret wrote: > I am trying to model a protein with a bound uracil. > I have a template also with bound uracil. > I modified the testyp.lib file in order to name uracil "U" > and I included /U* at the end of the alignment for both > template and target. > The modeling goes on smoothly but I get a strange uracil > with protein backbone atoms: N, CA, C,... Therefore Modeller > thinks U is an aminoacid.
It's hard to diagnose your problem without seeing your input files, and your modified restyp.lib.
Ben Webb, Modeller Caretaker
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Michel Seigneuret
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Modeller Caretaker