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Need to explore how can I display a mutation from a 3D molecular perspective.
dridk updated
5 years ago
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As noted in #6... We punted on JSmol. Either identify some other 3rd-party library that meets the needs of Molecule Polarity (and future chem sims?) or develop a custom library. If developing a cust…
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Nice project that looks very active and gives incredible and fast protein visualisation
https://github.com/arose/ngl
Can even allow a JS box to put buttons directly in the module
http://nglview…
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Implement improved visualization using something like nGL or mol*. It would be nice at a minimum to have a ribbon view of the molecule being simulated. This would require getting the visualization d…
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I installed weas-widget in colab as:
!pip install weas-widget
Then run:
from ase.build import molecule
from weas_widget import WeasWidget
atoms = molecule("H2O")
viewer = WeasWidget()
viewer.…
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# Background
The epic covers the development of the docking plugin for Datagrok using the Autodock4 engine.
The discussion thread: https://datagrok.slack.com/archives/G01BZ4Y776E/p1698873693338189
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Create a scenario page for the https://www.bonvinlab.org/education/HADDOCK24/shape-small-molecule tutorial.
It would be nice if you could
- upload a ligand as a PDB file and the scenario page wou…
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### Describe your feature request precisely
From your documentation:
>* molecules files such as cif, pdb, sdf, mol files, they will display the molecule in 2D or 3D
>* DNA files such as fasta, gb…
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Hi guys,
Just been reading the tutorial and nearly all the examples I can find of Kekule.IO.loadFormatData() uses the 'cml' type. I was wondering, is it possible to use the 'smi' type to load data in…