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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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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@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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participants (2)
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Eric Pettersen
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Nedra Rached