[Chimera-users] Disulfide bond for minimization?
pett at cgl.ucsf.edu
Mon Nov 10 10:19:31 PST 2014
…rename your residues to CYS…
On Nov 10, 2014, at 10:18 AM, Eric Pettersen <pett at cgl.ucsf.EDU> wrote:
> Hi JD,
> Chimera 1.9 certainly minimizes disulfides okay if they're named CYS. Chimera 1.10 seems to have a bug in this regard. So try 1.9. If that doesn't work, rename your residues to 1.9 and try again (setattr r type CYS :CYM).
> On Nov 7, 2014, at 8:36 AM, Jean Didier Pie Marechal <JeanDidier.Marechal at uab.cat> wrote:
>> Dear all,
>> I am trying to minimize a structure with a disulfide bond. My initial pdb has a CYM residue for amino acids involved in the bridge. Chimera correctly recognize the binding. But when entering the minimization run, chimera complains about the atoms of the cysteinate residues. Before sending you files I was just wondering if this is something that is not implemented in chimera or a problem on how I prepare my structure.
>> Best regards,
>> Chimera-users mailing list
>> Chimera-users at cgl.ucsf.edu
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