[Chimera-users] Energy minimization

Eric Pettersen pett at cgl.ucsf.edu
Mon Mar 27 10:55:20 PDT 2023


Hi Nedra,
	In order for Chimera to perform minimization, atoms in standard residues have to have their PDB standard names so that Chimera can assign correct atom types and partial charges.  The error message you got typically results from one or more atoms not having their standard names.  Instead of going back and forth here on the mailing list, it would be best if after getting this error you used Help→Report A Bug to submit a bug report.  This will include the contents of Chimera's log, which will allow me to offer specific advice for how to correct this problem for your structure.

--Eric

	Eric Pettersen
	UCSF Computer Graphics Lab


> On Mar 27, 2023, at 2:53 AM, Nedra Rached via Chimera-users <chimera-users at cgl.ucsf.edu> wrote:
> 
> Hello;
> I attempted to do energy minimization on my protein but i get this error  message when i try to run it: 
> AttributeError: '_molecule.Atom' object has no attribute 'gaffType'
> So, could you please help me to resolve this issue
> Best regards 
> 
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