[chimerax-users] ChimeraX - defattr Problems

[Elaine Meng]

Hi Harsh,
Sorry, I don't know the answer, so I'm CC'ing the chimerax-users at cgl.ucsf.edu list.

In general, please use the chimerax-users at cgl.ucsf.edu address to ask us questions unless your message contains private data. It allows others to answer or to learn from the answers, serves as a record of our service, and is searchable later.  Also, when you get a traceback, it is sometimes better (than sending mail directly) to use the menu: Help... Report a Bug and attach any files needed to reproduce the problem, as well as including a short description of what you did and your e-mail address if you want feedback.  That will automatically send us information about platform, version, etc.

Thanks,
Elaine
-----
Elaine C. Meng, Ph.D.                       
UCSF Chimera(X) team
Department of Pharmaceutical Chemistry
University of California, San Francisco

> On Mar 6, 2021, at 7:25 PM, Harsh Srivastava <hrs4853 at rit.edu> wrote:
> 
> Hello Dr. Meng, 
> 
> I hope this message finds you well. I am receiving the following error when attempting to load an external attribute file into ChimeraX using the defattr command as follows: 
> 
> defattr /Users/harsh/Downloads/attfile.defattr 
> 
> 1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-packages/chimerax/atomic/attr_registration.py", line 90, in register
>     type_str(prev_attr_type), type_str(attr_type)))
> chimerax.atomic.attr_registration.RegistrationConflict: Registration of attr 'deltaKL' with Residue by defattr command conflicts with previous registration by defattr command due to differing value types (int vs. float)
> 
> chimerax.atomic.attr_registration.RegistrationConflict: Registration of attr 'deltaKL' with Residue by defattr command conflicts with previous registration by defattr command due to differing value types (int vs. float)
> 
> File "/Applications/ChimeraX-1.1.1.app/Contents/Library/Frameworks/Python.framework/Versions/3.7/lib/python3.7/site-packages/chimerax/atomic/attr_registration.py", line 90, in register
> type_str(prev_attr_type), type_str(attr_type)))
> 
> Below is an excerpt of the attribute file following the rules outlined on the web documentation. It might not be apparent on email, but the format of the values is (tab)(residue)(tab)(value).
> 
> attribute: deltaKL		
> recipient: residues		
> 	:1	0.23
> 	:2	0.23
> 	:3	0.23
> 	:4	0.27
> 	:5	0.19
> 	:6	0.06
> 	:7	0.1
> 	:8	0.46
> 	:9	-0.44
> 	:10	0.15
> 	:11	0.32
> 	:12	0.05
> 	:13	-0.6
> 	:14	-0.4
> 	:15	-0.35
> 	:16	0.2
> 	:17	0.14
> 
> I receive the same error consistently where ChimeraX tells me there is a conflict when registering the attribute despite having never registered a deltaKL attribute to the structure. 
> 
> Would you kindly be able to advise? 
> 
> Kindly, 
> Harsh 
> -- 
> Harsh Srivastava
> Rochester Institute of Technology
> Bioinformatics and Computational Biology 
> hrs4853 at rit.edu 
> 
>