-
Hi,
I encountered an issue when using reduce2 to add hydrogens to my protein. Some amino acids have an extra hydrogen atom added to their amide bonds, which caused problems in my subsequent protein …
-
Related to https://github.com/phetsims/models-of-the-hydrogen-atom/issues/67 and https://github.com/phetsims/sun/issues/901 ...
EraseButton should have a default for `accessibleName`, rather than…
-
A new issue within the CDXML parser was found with multi-ring/spirocyclic systems. Due to multiple parts of the ring getting bent at the same time upon parsing, it can sometimes place the ring such th…
-
**Problem**
The class `rdMolStandardize.Uncharger` is supposed to remove/add protons where possible. However in deuterated molecules the charge is removed, but the number of hydrogen-atoms is unchang…
-
From https://github.com/phetsims/models-of-the-hydrogen-atom/issues/67#issuecomment-2460594348:
> @pixelzoom , I hear "Electron Energy Levels, empty region," after the help text. Is that intentiona…
-
- RDKit Version: 2018.09.3
- Operating system: linux
- Python version (if relevant): 3.7.3
- Are you using conda? yes
- If you are using conda, which channel did you install the rdkit from?
- …
-
Hi,
I've been using PMX for a while now and a thought has just popped in to my head: I'm repartitioning hydrogen mass with a scale factor of 3, but noticed in my top files that the dummy atoms added…
-
**Description of the error**
The angular correlation is dependent on the molecule atom ordering. Here I have created a CH4 molecule trajectory that simply rotates around the CH bond.
![Animation4…
-
From https://github.com/phetsims/models-of-the-hydrogen-atom/issues/67#issuecomment-2436531739 ...
> @kathy-phet also requested that we add a static summary for reach screen. @jessegreenberg and I …
-
Yellow for hydrogen and dark pink for carbon feels rather weird.
Pure white and pure black is indeed hard to see and not ideal.
But muted version should work (as they do in other software).
Here …