Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Error in mae or pdb reading #19

Open
Xinheng-He opened this issue Mar 6, 2022 · 0 comments
Open

Error in mae or pdb reading #19

Xinheng-He opened this issue Mar 6, 2022 · 0 comments

Comments

@Xinheng-He
Copy link

Hi!

I'm currently using dabble to produce structures and my configuration is based on conda install -c rbetz dabble in python 3.6.3.

However, when I try to read pdbs or maes, the problem is raised:

Inferring output format from file extension
Traceback (most recent call last):
File "/home/v-xinhenghe/miniconda3/envs/dabble/bin/dabble", line 11, in
load_entry_point('dabble==2.7.9', 'console_scripts', 'dabble')()
File "/home/v-xinhenghe/miniconda3/envs/dabble/lib/python3.6/site-packages/dabble/main.py", line 233, in main
builder.write()
File "/home/v-xinhenghe/miniconda3/envs/dabble/lib/python3.6/site-packages/dabble/builder.py", line 245, in write
final_id = self._build()
File "/home/v-xinhenghe/miniconda3/envs/dabble/lib/python3.6/site-packages/dabble/builder.py", line 115, in _build
self.add_molecule(self.opts.get('membrane_system'), 'membrane')
File "/home/v-xinhenghe/miniconda3/envs/dabble/lib/python3.6/site-packages/dabble/builder.py", line 282, in add_molecule
atomsel('all', molid=molid).beta = 1
AttributeError: 'atomsel.atomsel' object has no attribute 'beta'

It seems that from vmd import atomsel shows some error that 'atomsel.atomsel' object does not work well. It there any solution?

Thanks for your concerning and wish to get a reply.

@Xinheng-He Xinheng-He changed the title Error in mae or pdn reading Error in mae or pdb reading Mar 6, 2022
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Labels
None yet
Projects
None yet
Development

No branches or pull requests

1 participant