Am 10.05.2023 um 16:32 schrieb pgchem pgchem:
I'm currently trying to build RDKit 2023_03_1 on Windows 11 with Visual
Studio 2022 Community. The building itself works:
- No errors during the build
- I get a working extension against PostgreSQL 15.2
- I get working static libraries for Visual
> Joos Kiener hat am 11.05.2023 16:11 CEST geschrieben:
>
>
> Hi Ernst-Georg,
>
> maybe you are running into the same issue as I was:
>
> https://github.com/rdkit/rdkit/discussions/6148#discussioncomment-5450102
>
> You have to explicitly tell python where the dlls are:
>
>
Hi Ernst-Georg,
maybe you are running into the same issue as I was:
https://github.com/rdkit/rdkit/discussions/6148#discussioncomment-5450102
You have to explicitly tell python where the dlls are:
os.add_dll_directory(r"C:\path\to\rdkit\lib")
before importing rdkit.
>From python
Dear list,
I am a little bit worried.
If I start from the conformer given at the end of this message,
MMFF94 gives me a minimized conformer energy of -122.528
while UFF gives me 69.098 (I assume, both are in kcal/mol).
I am a little bit annoyed by the fact that the UFF energy
is not even
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