I have anaconda installed and set up an environment with openbabel. It runs great when running from anaconda however i need to run through other software where i have to set the python interpreter "C:\ProgramData\Anaconda3\envs\python3-10-9\python.exe" and that's where the problems begin. How do i get it to open the environment as a conda environment or what do i have to set in my script to get it to work?
I need it for Spotfire data functions
from the python exe
Python 3.10.9 | packaged by conda-forge | (main, Feb 2 2023, 20:14:58) [MSC v.1929 64 bit (AMD64)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> from openbabel import pybel
>>> print(pybel.readstring("smi", "CN2C(=O)N(C)C(=O)C1=C2N=CN1C").write("can"))
Traceback (most recent call last):
File "<stdin>", line 1, in <module>
File "C:\ProgramData\Anaconda3\envs\python3-10-9\lib\openbabel\pybel.py", line 200, in readstring
raise ValueError("%s is not a recognised Open Babel format" % format)
ValueError: smi is not a recognised Open Babel format
How do i start python like this? keeping in mind i have to be able to set the path like this "C:\ProgramData\Anaconda3\envs\python3-10-9\python.exe"
what does anaconda run when we click "Run with Python"?
C:\Users\Administrator>conda.bat activate "C:\ProgramData\Anaconda3\envs\python3-10-9"
C:\Users\Administrator>set OLD_BABEL_DATADIR=C:\ProgramData\Anaconda3\envs\python3-10-9\share\openbabel
C:\Users\Administrator>set BABEL_DATADIR=C:\ProgramData\Anaconda3\envs\python3-10-9\share\openbabel
Python 3.10.9 | packaged by conda-forge | (main, Feb 2 2023, 20:14:58) [MSC v.1929 64 bit (AMD64)] on win32
Type "help", "copyright", "credits" or "license" for more information.
>>> from openbabel import pybel
>>> print(pybel.readstring("smi", "CN2C(=O)N(C)C(=O)C1=C2N=CN1C").write("can"))
Cn1cnc2c1c(=O)n(C)c(=O)n2C
>>>
Hi,
I have anaconda installed and set up an environment with openbabel. It runs great when running from anaconda however i need to run through other software where i have to set the python interpreter "C:\ProgramData\Anaconda3\envs\python3-10-9\python.exe" and that's where the problems begin. How do i get it to open the environment as a conda environment or what do i have to set in my script to get it to work?
I need it for Spotfire data functions
from the python exe
How do i start python like this? keeping in mind i have to be able to set the path like this "C:\ProgramData\Anaconda3\envs\python3-10-9\python.exe" what does anaconda run when we click "Run with Python"?