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I get this error when doing:
`model.viewStates(ligand="resname MOL")`
```
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ValueError …
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Seeing as I wasn't clear and the last bug I reported was closed....
You cannot install any of the newer DEBs on _Ubuntu16.04_ because cura depends on an older version than the default one shipped in …
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The current type renderer for mol2d goes through oclCode.
https://github.com/NPellet/visualizer/blob/master/src/src/util/typerenderer.js#L274
The problem is that those code skips all the hydrogens w…
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egonw updated
7 years ago
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How can I get a molfile without the trivial hydrogens? In other words, how can I revert the addImplicitHydrogens effect?
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This URLs:
https://www.ebi.ac.uk/chembl/api/data/similarity/TTZHDVOVKQGIBA-IQWMDFIBSA-N/100
https://www.ebi.ac.uk/chembl/api/data/similarity/CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)N…
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I created the following xHELM string and validated it using the toolkit. The editor returns an error 'null' when I try to load it. As the monomer definitions are contained within the file there shoul…
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When you go over a carbon atom and press O the carbon is replaced by an oxygen but this does not trigger the even to reexport the molfile.
@targos maybe this bug is related to the visualizer plugin ?…
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Hi,
Question. I have a model whose macro 3 was only visited by sims 26, 27, and 31.
```
lag_time = 75
nr_macrostates = 4
model.markovModel(lag_time, nr_macrostates)
2016-09-26 11:07:36,782 - htmd.m…