Update ligand_networks_for_developers #40
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- [x] Removed a bunch of debug stuff (which caused problems on GitHub
for some browsers).
- [x] Added something about writing ligand networks as GraphML.
The reason to write to GraphML is that right now, that's the best way to
use the visualization tool (via the horrible incantation `python -m
openfe.utils.atommapping_network_plotting network.graphml` -- we should
probably put that somewhere more easily accessible.)
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IAlibay
approved these changes
Mar 31, 2023
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IAlibay
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IAlibay
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Just the one typo, I'll approve eagerly.
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Ran this with latest releases, then tested again in my env with both gufe and openfe dev versions. |
Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
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I've put these changes into #42 |
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The reason to write to GraphML is that right now, that's the best way to use the visualization tool (via the horrible incantation
python -m openfe.utils.atommapping_network_plotting network.graphml-- we should probably put that somewhere more easily accessible.)