Handle Link Nodes in CXSMILES (Ring flags now set when reading from SMILES)#1232
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Handle Link Nodes in CXSMILES (Ring flags now set when reading from SMILES)#1232
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No idea why the forcefield is failing, will take a look |
…aring. Seems buggy but we have better ways to configure MMFF now
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Go to go |
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first thing tomorrow |
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Sadly, the first thing today was my webbrowser crashing each time I tried to open a new webpage |
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In midst of writing a blog post on repeat groups I realised we don't handle link nodes CXSMILES. Quite east to handle just treated that as Sgroups.
It may be useful to add the optimisation going the other way as well.