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Is it possible to perform coordinate transformations in LiteMol, say apply a rotation to a molecule so that its orientation changes relative to another molecule loaded in the same "scene"?
Alterna…
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This UI was proposed:
https://slack-files.com/T01JPHYBFGF-F01NRMZ06G4-1d48ae0770
It seems a good idea, and it looks good. Images are already downloaded for the network, and the SMILE for each mo…
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How can I display reaction from smiles (e.g. CCO.C(=O)O>>C(=O)OCC )in Viewer2D? As I can see it is not possible to export/import it directly from smiles. My first idea is: a) export each mol to kcj, …
rmrmg updated
6 years ago
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Using react-router user shall be able to display single ligand of given target for given site.
url shall be /target/target_name/site/ligand1/ligand2/ligand3
Max length of the url is 2048 character…
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Hi,
I'm interested in capturing the exact state of the receptor after flexible docking.
It seems there is no description about that on docs, but is there any way to do that with vina?
If not…
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@alanbchristie or @kaliif need to debug and test uploading data to the RHS. Much quicker for someone who is actively developing Fragalysis V2 (has dev env setup etc).
This feels like a ticket in i…
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176 line of filetypes.py
`os.system('/fs/europa/g_pc/vmd-1.9 '+output_file+' > /dev/null')`
Is it necessary besides annoying me?
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I see a 'copy objects to internal clipboard' in the Molecule viewer demo page (http://partridgejiang.github.io/Kekule.js/demos/demoLauncher.html?id=moleculeViewer) Is it possible to get the same in th…
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Need that terrific up/down functionality to work on Selected Compounds list, on RHS.
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