Dear All, When i am trying to assign partial charge on a molecule, it is giving error something like this- AttributeError: '_chimera.Atom' object has no attribute 'gaffType' File "/opt/UCSF/Chimera64-1.5rc/share/WriteMol2/__init__.py", line 289, in writeMol2 atomType = atom.gaffType I am using chimera 1.5 on linux 64-bit Kindly help to resolve this problem Thanks in advance kshatresh
Hi Kshatresh, Please use "Help... Report a Bug" in the Chimera menu instead of sending mail to chimera-users. This will automatically include information about what version of Chimera and type of computer you are using. If you attach the molecule structure file, and enter a description of how to generate the error, we may be able to identify the problem. Otherwise it is not enough information. Also, if you want to hear back, please include your email address in the bugreport. Thanks, Elaine ----- Elaine C. Meng, Ph.D. UCSF Computer Graphics Lab (Chimera team) and Babbitt Lab Department of Pharmaceutical Chemistry University of California, San Francisco On Dec 13, 2010, at 9:47 PM, Kshatresh Dutta Dubey wrote:
Dear All, When i am trying to assign partial charge on a molecule, it is giving error something like this-
AttributeError: '_chimera.Atom' object has no attribute 'gaffType' File "/opt/UCSF/Chimera64-1.5rc/share/WriteMol2/__init__.py", line 289, in writeMol2 atomType = atom.gaffType
I am using chimera 1.5 on linux 64-bit
Kindly help to resolve this problem Thanks in advance kshatresh
I guessing you were doing Minimize and one or more charge computations on non-standard residues failed (or some non-standard atoms in standard residues had zero charge assigned). You tried to continue on and got this error. Is this right? Regardless, filing a bug report as Elaine suggests would be the best course. --Eric Eric Pettersen UCSF Computer Graphics Lab http://www.cgl.ucsf.edu On Dec 13, 2010, at 9:47 PM, Kshatresh Dutta Dubey wrote:
Dear All, When i am trying to assign partial charge on a molecule, it is giving error something like this-
AttributeError: '_chimera.Atom' object has no attribute 'gaffType' File "/opt/UCSF/Chimera64-1.5rc/share/WriteMol2/__init__.py", line 289, in writeMol2 atomType = atom.gaffType
I am using chimera 1.5 on linux 64-bit
Kindly help to resolve this problem Thanks in advance kshatresh _______________________________________________ Chimera-users mailing list Chimera-users@cgl.ucsf.edu http://plato.cgl.ucsf.edu/mailman/listinfo/chimera-users
participants (3)
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Elaine Meng -
Eric Pettersen -
Kshatresh Dutta Dubey