search

Amber-MD / pytraj

Python interface of cpptraj
https://amber-md.github.io/pytraj
170 stars 38 forks source link

How do I import pytraj? #1652

Closed d-beltran closed 7 months ago

d-beltran commented 7 months ago

Hi everyone,

According to the install docs:

The best way is to install AmberTools via conda: conda install -c conda-forge ambertools compilers

I have done this and the installation was fine. However now I don't see how to import pytraj.

Sorry for the naive question!

hainm commented 7 months ago

Dear @d-beltran

you can try python3 -c 'import pytraj'

hainm commented 7 months ago

If you have seen this (old) docs yet, please do: https://amber-md.github.io/pytraj/latest/tutorials/basic_examples.html#how-to-run-pytraj

Cheers

d-beltran commented 7 months ago

logs

d-beltran commented 7 months ago

It turns out there was some problem with mamba I have reinstalled everything and now it works :)

Sorry and thank you for your time @hainm