I have a PhD in Chemistry and I love contributing to open source computational chemistry projects!
cbouy / dashmd Goto Github PK
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License: MIT License
Real time monitoring and visualization of Amber MD simulations
License: MIT License
Installed ok. When first trying to launch dashmd, had to change in template.py of bokeh line 43
from jinja2 import Environment, Markup, FileSystemLoader >
from jinja2 import Environment, FileSystemLoader
from markupsafe import Markup
After that, dashmd launched in browser. Put abs path in "Path to MD directory containing mdin and mdout files" box but got this error in terminal
ERROR:bokeh.server.protocol_handler:error handling message Message 'PATCH-DOC' (revision 1) content: {'events': [{'kind': 'ModelChanged', 'model': {'type': 'Toggle', 'id': '1003'}, 'attr': 'active', 'new': True}], 'references': []}: FileNotFoundError(2, 'No such file or directory')
I think there was a keyerror somewhere?
https://discourse.bokeh.org/t/problem-error-bokeh-server-protocol-handler-error-handling-message-message-patch-doc-revision-1/4058
Thank you for yoru work
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