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When I generate a CIF from mercury then try to open in CrystalExplorer using Windows 10, I receive an error that says "There is an error in the Tonto stdout file, and no data has been loaded. The stdo…
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# ! Package keyval Error: UL-3pimOcrqJm undefined
env:windows,texlive2018,biblatex3.12
When I use a set with authoryear style,I encounter an error `! Package keyval Error: UL-3pimOcrqJm undefine…
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## Describe the bug
Hello, I'm running a nested grid simulation over Asia, but I'm getting an error in the run log that says
HEMCO ERROR: Error: HEMCO field already exists:SPC_H2O
## To Reprod…
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From https://tex.stackexchange.com/q/520657/35864
Consider the following MWE with an unknown entry type `@unknowntype`
```latex
\documentclass{article}
\usepackage{biblatex}
\begin{fileconten…
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Hello,
I have opened PyDP4_GUI.py to see the GUI platform, but when i try to imput my data and choose options to run the program, it always crash after i push the 'Calculate' buttom. Im not a profe…
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**Submitting author:** @vgurianov (Vasyliy Gurianov)
**Repository:** https://github.com/vgurianov/srt
**Version:** v1.0.9
**Editor:** Pending
**Reviewer:** Pending
**Managing EiC:** Kyle Niemeyer
**:…
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Hi,
I've been trying to calculate the energies of monoatomic compounds. All of the atoms ran successfully, except for hydrogen with multiplicity 2.
My in-file:
```
molecule mol_atomic_hydrogen…
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Hello!
Seem like it's a useful GUI for many computational chemistry softwares. However, it's very hard to compile it, especially it's dependency. It may need users have a good command of GTK+platform…
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**Configuration:**
* Python 3.8
* RDKit 2020.03.2 (Anaconda)
* Ubuntu 19.10
Hi, I am just trying the new drawing code, which renders beautiful images of molecules, but I noticed the new drawin…
apahl updated
4 years ago
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- RDKit Version:'2018.09.1'
- Operating system:CentOS
- Python version (if relevant):3.7
- Are you using conda? yes
- If you are using conda, which channel did you install the rdkit from?
```cond…