-
When merging or demerging the publications are not displayed in the view.
Example try merging 52555 and 52552.
Then try demering using 52555
Reported by: pauladematos
-
Hello,
We are trying to follow the tutorial "ligand binding analysis" as a python script, but we can't use the methods that create plots (plotTrajSizes, plotTimescales, getRates): when we call them, …
-
hello,
If I try to submit a polymer, the submission tool disregards the square brackets.
(I've only been doing this on the development version, not the real one!)
This is probably something pretty …
-
Here is the structure according to NIST (InChI trust certified).
http://webbook.nist.gov/cgi/cbook.cgi?ID=C2008197&Units=SI
When the SMILES `[CH]C#C` is used to make a molecule, the correct InChI is …
-
Hi,
Please would you update the structural data of polynyl alcohol CHEBI:17246 with the attached mol file and create the corresponding structure for CHEBI:16571, the oxidized polyvinyl alcohol
Thank…
-
For this molfile:
```
SciTegic10091514462D
32 33 0 0 0 0 999 V2000
-2.6248 -2.7816 0.0000 C 0 0
-2.6260 -3.6085 0.0000 C 0 0
-1.9116 -4.0211 0.0000 C …
-
Hello,
name: organoiodine heterocyclic compounds
def: "Cyclic compounds having as ring members atoms of carbon and iodine."
is_a: CHEBI:24532 ! organic heterocyclic compounds
then:
name: iodoxoles
…
-
I have uploaded 5 separate molfiles to the interface into the box to the right.
I then click on Save All To ChEMBL
and I get a window asking me if I want to clean the molecule. However, it doesn't s…
-
When trying to load more than one molfile file to the interface, it won't let me do it more than one at a time. This is frustrating - especially if I had about 100, which is my usual number.
![copy](…
-
In my attempt to replicate the `examples/mof.html`, my MOF is rotated at a very awkward angle when I first open it. Is it easy to change the default view, through an up vector and view vector? First, …